Bis[2,6-bis-(1H-pyrazol-1-yl)pyridine]-deca-kis-(μ2-3-nitro-benzoato)bis-(3-nitro-benzoato)tetra-dysprosium(III): a linear tetra-nuclear dysprosium compound based on mixed N- and O-donor ligands.

The title compound, [Dy4(C7H4NO4)12(C11H9N5)2] or Dy4(L1)12(L2)2, where HL1 = 3-nitro-benzoic acid and HL2 = 2,6-bis-(1H-pyrazol-1-y1)pyridine, is a linear tetra-nuclear complex possessing inversion symmetry. The two central inversion-related Dy(III) atoms are seven-coordinate, DyO7, with a monocapped triangular-prismatic geometry. The outer two Dy(III) atoms are eight-coordinate, DyO5N3, with a bicapped triangular-prismatic geometry. The outer adjacent Dy(III) atoms are bridged by three L1(-) carboxyl-ate groups, while the inner inversion-related Dy(III) atoms are bridged by four L1(-) carboxyl-ate groups. The L2 ligands are terminally coordinated to the outer Dy(III) atoms in a tridentate manner. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to (001). Two carboxyl-ate O atoms, and N and O atoms of three nitro groups, are disordered over two positions, with a refined occupancy ratio of 0.552 (6):0.448 (6).

Related literature

For background to single mol­ecular magnets, see: Zheng et al. (2008 ▶); Wu et al. (2009 ▶); Guo et al. (2012 ▶). For examples of multinuclear Dy-based compounds, see: Abbas et al. (2010 ▶); Blagg et al. (2011 ▶); Hussain et al. (2009 ▶); Tian et al. (2012 ▶); Xu et al. (2010 ▶). For details of a linear tetra­nuclear DyIII complex, see: Lin et al. (2012 ▶).

Experimental

Crystal data

[Dy4(C7H4NO4)12(C11H9N5)2]

M = 3065.81

Triclinic,

a = 14.2514 (3) Å

b = 14.9274 (5) Å

c = 14.9616 (3) Å

α = 100.443 (2)°

β = 111.754 (1)°

γ = 99.695 (2)°

V = 2808.87 (12) Å3

Z = 1

Mo Kα radiation

μ = 2.74 mm−1

T = 296 K

0.20 × 0.20 × 0.19 mm

Data collection

Bruker APEX2 CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.611, T max = 0.624

42971 measured reflections

11020 independent reflections

9747 reflections with I > 2σ(I)

R int = 0.025

Refinement

R[F 2 > 2σ(F 2)] = 0.022

wR(F 2) = 0.058

S = 1.13

11020 reflections

848 parameters

24 restraints

H-atom parameters constrained

Δρmax = 0.66 e Å−3

Δρmin = −0.67 e Å−3

Data collection: APEX2 (Bruker, 2008 ▶); cell refinement: SAINT (Bruker, 2008 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg, 2005 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablock(s) I. DOI: 10.1107/S1600536814006060/su2704sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536814006060/su2704Isup2.hkl

CCDC reference: 992494

Additional supporting information: crystallographic information; 3D view; checkCIF report

[Dy4(C7H4NO4)12(C11H9N5)2]	Z = 1
Mr = 3065.81	F(000) = 1504
Triclinic, P1	Dx = 1.812 Mg m−3
a = 14.2514 (3) Å	Mo Kα radiation, λ = 0.71073 Å
b = 14.9274 (5) Å	Cell parameters from 9289 reflections
c = 14.9616 (3) Å	θ = 2.6–27.7°
α = 100.443 (2)°	µ = 2.74 mm−1
β = 111.754 (1)°	T = 296 K
γ = 99.695 (2)°	Block, colourless
V = 2808.87 (12) Å3	0.20 × 0.20 × 0.19 mm

Bruker APEX2 CCD area-detector diffractometer	11020 independent reflections
Radiation source: fine-focus sealed tube	9747 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.025
phi and ω scans	θmax = 26.0°, θmin = 1.5°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −17→17
Tmin = 0.611, Tmax = 0.624	k = −18→18
42971 measured reflections	l = −18→18

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.022	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.058	H-atom parameters constrained
S = 1.13	w = 1/[σ2(Fo2) + (0.0235P)2 + 2.1975P] where P = (Fo2 + 2Fc2)/3
11020 reflections	(Δ/σ)max = 0.004
848 parameters	Δρmax = 0.66 e Å−3
24 restraints	Δρmin = −0.67 e Å−3

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell esds are taken into account in the estimation of distances, angles and torsion angles

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > 2sigma(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	Uiso*/Ueq	Occ. (<1)
Dy1	0.28833 (1)	0.97110 (1)	0.24389 (1)	0.0340 (1)
Dy2	0.08445 (1)	0.64772 (1)	0.06388 (1)	0.0293 (1)
O1	0.40358 (19)	1.09572 (16)	0.2241 (2)	0.0577 (9)
O2	0.47835 (18)	1.01655 (16)	0.32745 (18)	0.0527 (8)
O3	0.9290 (2)	1.0903 (3)	0.3411 (3)	0.0988 (15)
O4	0.8535 (3)	1.0435 (3)	0.4309 (3)	0.0911 (16)
O5	0.12405 (17)	0.91358 (14)	0.23748 (18)	0.0488 (7)
O6	0.04254 (16)	0.78523 (13)	0.11067 (16)	0.0395 (7)
O7	−0.3214 (3)	0.5943 (3)	0.1974 (3)	0.1315 (19)
O8	−0.2587 (2)	0.5695 (2)	0.0899 (3)	0.0816 (11)
O9	0.31791 (19)	0.85744 (14)	0.32943 (17)	0.0510 (8)
O10	0.2210 (13)	0.7314 (10)	0.2201 (14)	0.052 (3)	0.552 (6)
O11	0.2006 (12)	0.4349 (6)	0.3129 (7)	0.108 (4)	0.552 (6)
O12	0.3409 (4)	0.4208 (3)	0.4299 (4)	0.138 (2)
O13	0.32544 (18)	0.87284 (14)	0.13393 (18)	0.0486 (7)
O14	0.2068 (17)	0.7471 (12)	0.0279 (17)	0.042 (3)	0.552 (6)
O15	0.7221 (3)	0.8169 (3)	0.0730 (4)	0.121 (2)
O16	0.6931 (6)	0.9069 (6)	0.1817 (8)	0.118 (3)	0.552 (6)
O17	−0.02219 (19)	0.43184 (17)	−0.15496 (19)	0.0551 (8)
O18	0.0549 (2)	0.58560 (17)	−0.10098 (17)	0.0579 (8)
O19	−0.093 (5)	0.274 (3)	−0.499 (4)	0.124 (9)	0.552 (6)
O20	0.002 (3)	0.310 (3)	−0.564 (3)	0.131 (10)	0.552 (6)
O21	0.1757 (2)	0.53620 (17)	0.0789 (2)	0.0587 (9)
O22	0.09576 (17)	0.38329 (17)	0.02968 (18)	0.0543 (8)
O23	0.5378 (9)	0.6545 (7)	0.2803 (8)	0.097 (3)	0.552 (6)
O24	0.6252 (6)	0.5694 (7)	0.3608 (7)	0.096 (2)	0.552 (6)
N1	0.3146 (3)	1.06292 (18)	0.4102 (2)	0.0534 (10)
N2	0.2726 (3)	1.13707 (19)	0.4196 (3)	0.0622 (11)
N3	0.2018 (2)	1.10703 (16)	0.2480 (2)	0.0447 (9)
N4	0.1392 (2)	1.06919 (19)	0.0772 (2)	0.0512 (9)
N5	0.1847 (2)	0.9962 (2)	0.0805 (2)	0.0485 (9)
N6	0.8551 (3)	1.0784 (3)	0.3639 (3)	0.0704 (14)
N7	−0.2562 (2)	0.6148 (2)	0.1655 (3)	0.0654 (13)
N8	0.2854 (5)	0.4694 (3)	0.3926 (5)	0.101 (2)
N9	0.6611 (3)	0.8432 (3)	0.1008 (4)	0.110 (2)
N10	−0.030 (5)	0.329 (5)	−0.505 (2)	0.087 (9)	0.552 (6)
N11	0.5474 (8)	0.5820 (7)	0.2990 (9)	0.065 (3)	0.552 (6)
C1	0.4830 (3)	1.0713 (2)	0.2735 (2)	0.0456 (10)
C2	0.5837 (3)	1.1049 (2)	0.2650 (3)	0.0485 (10)
C3	0.6724 (3)	1.0806 (2)	0.3206 (3)	0.0491 (11)
C4	0.7627 (3)	1.1081 (2)	0.3079 (3)	0.0557 (11)
C5	0.7681 (4)	1.1602 (3)	0.2423 (3)	0.0727 (17)
C6	0.6801 (4)	1.1851 (4)	0.1880 (4)	0.0850 (17)
C7	0.5876 (3)	1.1573 (3)	0.1984 (3)	0.0684 (14)
C8	0.0542 (2)	0.83835 (19)	0.1921 (2)	0.0368 (9)
C9	−0.0221 (2)	0.8101 (2)	0.2355 (2)	0.0398 (9)
C10	−0.1026 (2)	0.7295 (2)	0.1832 (2)	0.0413 (10)
C11	−0.1725 (3)	0.7025 (2)	0.2226 (3)	0.0513 (11)
C12	−0.1656 (4)	0.7535 (3)	0.3120 (3)	0.0702 (17)
C13	−0.0863 (4)	0.8335 (3)	0.3631 (3)	0.0757 (17)
C14	−0.0138 (3)	0.8627 (3)	0.3259 (3)	0.0596 (14)
C15	0.2815 (2)	0.7701 (2)	0.3055 (2)	0.0427 (9)
C16	0.3276 (2)	0.7174 (2)	0.3800 (2)	0.0411 (9)
C17	0.2849 (3)	0.6216 (2)	0.3564 (3)	0.0490 (11)
C18	0.3326 (4)	0.5723 (2)	0.4209 (3)	0.0654 (13)
C19	0.4211 (5)	0.6131 (3)	0.5060 (4)	0.091 (2)
C20	0.4609 (4)	0.7092 (4)	0.5317 (3)	0.0933 (19)
C21	0.4127 (3)	0.7618 (3)	0.4685 (3)	0.0651 (13)
C22	0.3011 (2)	0.7914 (2)	0.0792 (2)	0.0404 (10)
C23	0.3859 (2)	0.7554 (2)	0.0603 (2)	0.0392 (9)
C24	0.4835 (3)	0.8154 (2)	0.0919 (3)	0.0534 (11)
C25	0.5576 (3)	0.7806 (3)	0.0687 (3)	0.0627 (14)
C26	0.5394 (3)	0.6899 (3)	0.0168 (3)	0.0631 (14)
C27	0.4431 (3)	0.6301 (3)	−0.0120 (3)	0.0621 (13)
C28	0.3669 (3)	0.6623 (2)	0.0094 (3)	0.0500 (11)
C29	0.0260 (2)	0.5067 (2)	−0.1618 (2)	0.0413 (10)
C30	0.0528 (2)	0.5006 (2)	−0.2499 (2)	0.0413 (10)
C31	0.0034 (3)	0.4220 (2)	−0.3311 (3)	0.0508 (11)
C32	0.0345 (4)	0.4164 (3)	−0.4083 (3)	0.0675 (16)
C33	0.1132 (4)	0.4829 (4)	−0.4071 (4)	0.084 (2)
C34	0.1607 (4)	0.5611 (4)	−0.3273 (4)	0.086 (2)
C35	0.1301 (3)	0.5707 (3)	−0.2492 (3)	0.0609 (12)
C36	0.1746 (2)	0.4516 (2)	0.0751 (2)	0.0399 (9)
C37	0.2766 (2)	0.4314 (2)	0.1309 (2)	0.0368 (9)
C38	0.3648 (3)	0.5048 (2)	0.1863 (2)	0.0483 (10)
C39	0.4567 (3)	0.4834 (4)	0.2389 (3)	0.0678 (16)
C40	0.4638 (4)	0.3935 (5)	0.2368 (4)	0.086 (2)
C41	0.3769 (4)	0.3214 (4)	0.1822 (4)	0.0787 (17)
C42	0.2830 (3)	0.3397 (2)	0.1286 (3)	0.0535 (11)
C43	0.3712 (4)	1.0616 (3)	0.5023 (3)	0.0725 (14)
C44	0.3677 (6)	1.1353 (4)	0.5717 (4)	0.105 (2)
C45	0.3065 (5)	1.1821 (3)	0.5178 (4)	0.097 (2)
C46	0.2056 (3)	1.1571 (2)	0.3338 (3)	0.0560 (13)
C47	0.1488 (4)	1.2217 (3)	0.3384 (5)	0.084 (2)
C48	0.0890 (4)	1.2382 (3)	0.2532 (6)	0.096 (2)
C49	0.0825 (3)	1.1894 (3)	0.1616 (4)	0.0776 (16)
C50	0.1413 (3)	1.1238 (2)	0.1650 (3)	0.0510 (13)
C51	0.0960 (3)	1.0761 (3)	−0.0173 (3)	0.0741 (16)
C52	0.1132 (3)	1.0081 (3)	−0.0761 (3)	0.0746 (16)
C53	0.1689 (3)	0.9601 (3)	−0.0123 (3)	0.0605 (12)
O20'	0.038 (4)	0.335 (4)	−0.545 (3)	0.131 (10)	0.448 (6)
O23'	0.5492 (14)	0.6242 (11)	0.3178 (12)	0.097 (3)	0.448 (6)
O10'	0.1998 (17)	0.7139 (14)	0.2273 (18)	0.052 (3)	0.448 (6)
O11'	0.1934 (14)	0.4500 (8)	0.3720 (15)	0.126 (7)	0.448 (6)
O14'	0.214 (2)	0.7289 (15)	0.042 (2)	0.042 (3)	0.448 (6)
O16'	0.6648 (8)	0.9344 (7)	0.1136 (10)	0.118 (3)	0.448 (6)
O19'	−0.108 (7)	0.296 (3)	−0.508 (5)	0.124 (9)	0.448 (6)
N10'	−0.007 (6)	0.337 (6)	−0.483 (3)	0.087 (9)	0.448 (6)
N11'	0.5531 (11)	0.5397 (8)	0.3049 (11)	0.065 (3)	0.448 (6)
O24'	0.6316 (8)	0.5128 (8)	0.3434 (9)	0.096 (2)	0.448 (6)
H3	0.67110	1.04600	0.36610	0.0590*
H5	0.83000	1.17830	0.23490	0.0870*
H24	0.49880	0.87770	0.12780	0.0640*
H26	0.59090	0.66910	0.00150	0.0750*
H27	0.42910	0.56750	−0.04620	0.0740*
H28	0.30180	0.62110	−0.01060	0.0600*
H31	−0.04940	0.37430	−0.33330	0.0610*
H33	0.13420	0.47550	−0.45920	0.1010*
H34	0.21380	0.60800	−0.32560	0.1040*
H35	0.16180	0.62460	−0.19590	0.0730*
H38	0.36230	0.56690	0.18820	0.0580*
H40	0.52730	0.38150	0.27230	0.1040*
H41	0.38060	0.25960	0.18070	0.0940*
H42	0.22380	0.28990	0.09100	0.0640*
H43	0.40860	1.01710	0.51870	0.0870*
H44	0.40090	1.14910	0.64090	0.1260*
H45	0.29000	1.23600	0.54300	0.1160*
H47	0.15160	1.25350	0.39920	0.1010*
H48	0.05110	1.28300	0.25520	0.1150*
H49	0.04120	1.20010	0.10180	0.0930*
H51	0.06030	1.12050	−0.03800	0.0890*
H52	0.09250	0.99570	−0.14480	0.0890*
H53	0.19210	0.90890	−0.03280	0.0730*
H6	0.68240	1.22100	0.14370	0.1020*
H7	0.52810	1.17390	0.16060	0.0820*
H10	−0.10950	0.69400	0.12220	0.0500*
H12	−0.21400	0.73400	0.33710	0.0850*
H13	−0.08070	0.86890	0.42360	0.0910*
H14	0.04010	0.91730	0.36140	0.0720*
H17	0.22510	0.59130	0.29830	0.0590*
H19	0.45400	0.57680	0.54590	0.1100*
H20	0.51960	0.73910	0.59090	0.1110*
H21	0.43840	0.82700	0.48640	0.0780*

	U11	U22	U33	U12	U13	U23
Dy1	0.0390 (1)	0.0263 (1)	0.0321 (1)	0.0088 (1)	0.0106 (1)	0.0058 (1)
Dy2	0.0289 (1)	0.0241 (1)	0.0308 (1)	0.0085 (1)	0.0087 (1)	0.0040 (1)
O1	0.0515 (14)	0.0458 (13)	0.0725 (18)	0.0122 (11)	0.0169 (13)	0.0270 (12)
O2	0.0466 (13)	0.0539 (13)	0.0456 (14)	0.0027 (10)	0.0076 (11)	0.0193 (11)
O3	0.0574 (19)	0.103 (3)	0.130 (3)	0.0175 (17)	0.041 (2)	0.015 (2)
O4	0.074 (2)	0.104 (3)	0.089 (3)	0.0355 (19)	0.0183 (19)	0.033 (2)
O5	0.0477 (13)	0.0326 (10)	0.0584 (15)	0.0039 (9)	0.0203 (12)	0.0038 (10)
O6	0.0451 (12)	0.0308 (9)	0.0488 (13)	0.0148 (9)	0.0252 (10)	0.0081 (9)
O7	0.107 (3)	0.140 (3)	0.144 (4)	−0.031 (2)	0.093 (3)	−0.001 (3)
O8	0.076 (2)	0.0680 (18)	0.089 (2)	−0.0116 (15)	0.0469 (19)	−0.0062 (16)
O9	0.0629 (15)	0.0348 (11)	0.0460 (13)	0.0095 (10)	0.0117 (12)	0.0154 (10)
O10	0.050 (6)	0.032 (5)	0.044 (3)	−0.014 (4)	−0.003 (3)	0.014 (3)
O11	0.151 (9)	0.039 (3)	0.101 (7)	−0.004 (4)	0.031 (6)	0.016 (4)
O12	0.202 (5)	0.060 (2)	0.152 (4)	0.054 (3)	0.053 (4)	0.051 (2)
O13	0.0517 (13)	0.0397 (11)	0.0555 (14)	0.0112 (10)	0.0279 (12)	0.0031 (10)
O14	0.043 (3)	0.029 (6)	0.061 (6)	0.011 (4)	0.026 (4)	0.019 (3)
O15	0.061 (2)	0.099 (3)	0.204 (5)	0.0131 (18)	0.072 (3)	0.016 (3)
O16	0.067 (4)	0.085 (4)	0.165 (7)	−0.007 (3)	0.049 (5)	−0.029 (4)
O17	0.0608 (15)	0.0584 (14)	0.0568 (15)	0.0169 (12)	0.0302 (13)	0.0261 (12)
O18	0.0690 (16)	0.0609 (15)	0.0369 (13)	0.0142 (12)	0.0218 (12)	−0.0002 (11)
O19	0.172 (18)	0.076 (16)	0.078 (9)	0.023 (12)	0.026 (10)	−0.021 (11)
O20	0.16 (2)	0.151 (19)	0.059 (12)	0.058 (15)	0.041 (13)	−0.035 (8)
O21	0.0644 (16)	0.0552 (14)	0.0718 (17)	0.0395 (12)	0.0304 (14)	0.0254 (12)
O22	0.0328 (12)	0.0683 (15)	0.0464 (14)	0.0111 (11)	0.0068 (10)	0.0016 (12)
O23	0.074 (3)	0.081 (6)	0.097 (7)	−0.011 (4)	0.026 (5)	−0.019 (4)
O24	0.043 (2)	0.137 (6)	0.073 (4)	0.003 (4)	0.000 (2)	0.017 (5)
N1	0.075 (2)	0.0376 (14)	0.0430 (17)	0.0071 (13)	0.0259 (15)	0.0038 (12)
N2	0.092 (2)	0.0386 (15)	0.061 (2)	0.0106 (15)	0.045 (2)	0.0016 (14)
N3	0.0488 (15)	0.0282 (12)	0.0622 (18)	0.0115 (11)	0.0266 (14)	0.0144 (12)
N4	0.0386 (14)	0.0497 (15)	0.0631 (19)	0.0124 (12)	0.0111 (14)	0.0306 (14)
N5	0.0460 (15)	0.0551 (16)	0.0456 (17)	0.0200 (13)	0.0141 (13)	0.0202 (13)
N6	0.051 (2)	0.066 (2)	0.077 (3)	0.0081 (16)	0.0181 (19)	0.0032 (19)
N7	0.0507 (18)	0.067 (2)	0.083 (3)	0.0026 (15)	0.0379 (19)	0.0202 (18)
N8	0.146 (5)	0.047 (2)	0.124 (5)	0.027 (3)	0.059 (4)	0.045 (3)
N9	0.052 (2)	0.078 (3)	0.177 (5)	−0.0016 (19)	0.057 (3)	−0.023 (3)
N10	0.12 (2)	0.097 (10)	0.022 (13)	0.054 (15)	0.007 (13)	−0.009 (13)
N11	0.041 (2)	0.084 (7)	0.052 (3)	0.004 (5)	0.012 (2)	0.006 (5)
C1	0.0457 (18)	0.0337 (15)	0.0420 (18)	−0.0002 (13)	0.0094 (15)	0.0029 (13)
C2	0.0490 (19)	0.0403 (16)	0.0444 (19)	0.0012 (14)	0.0123 (16)	0.0082 (14)
C3	0.052 (2)	0.0444 (17)	0.0407 (18)	0.0045 (15)	0.0127 (16)	0.0089 (14)
C4	0.049 (2)	0.0493 (19)	0.054 (2)	0.0027 (15)	0.0149 (17)	0.0020 (16)
C5	0.063 (3)	0.077 (3)	0.074 (3)	−0.001 (2)	0.032 (2)	0.020 (2)
C6	0.080 (3)	0.096 (3)	0.082 (3)	0.004 (3)	0.033 (3)	0.049 (3)
C7	0.062 (2)	0.069 (2)	0.068 (3)	0.007 (2)	0.017 (2)	0.034 (2)
C8	0.0401 (16)	0.0288 (13)	0.0453 (18)	0.0153 (12)	0.0187 (14)	0.0104 (12)
C9	0.0440 (17)	0.0371 (15)	0.0420 (17)	0.0160 (13)	0.0202 (14)	0.0086 (13)
C10	0.0434 (17)	0.0414 (15)	0.0448 (18)	0.0148 (13)	0.0234 (15)	0.0099 (13)
C11	0.051 (2)	0.0530 (19)	0.059 (2)	0.0158 (16)	0.0315 (18)	0.0151 (16)
C12	0.077 (3)	0.076 (3)	0.075 (3)	0.020 (2)	0.052 (3)	0.016 (2)
C13	0.098 (3)	0.082 (3)	0.059 (3)	0.026 (3)	0.051 (3)	0.004 (2)
C14	0.073 (3)	0.053 (2)	0.051 (2)	0.0110 (18)	0.032 (2)	0.0007 (16)
C15	0.0442 (17)	0.0385 (15)	0.0344 (17)	0.0085 (13)	0.0055 (14)	0.0093 (13)
C16	0.0493 (18)	0.0332 (14)	0.0324 (16)	0.0070 (13)	0.0096 (14)	0.0082 (12)
C17	0.058 (2)	0.0356 (15)	0.048 (2)	0.0082 (14)	0.0183 (17)	0.0098 (14)
C18	0.101 (3)	0.0413 (18)	0.057 (2)	0.021 (2)	0.031 (2)	0.0216 (17)
C19	0.136 (5)	0.069 (3)	0.063 (3)	0.044 (3)	0.018 (3)	0.040 (2)
C20	0.103 (4)	0.084 (3)	0.052 (3)	0.015 (3)	−0.010 (3)	0.022 (2)
C21	0.075 (3)	0.0438 (18)	0.044 (2)	0.0058 (17)	−0.0064 (19)	0.0116 (16)
C22	0.0413 (17)	0.0393 (15)	0.0431 (18)	0.0090 (13)	0.0215 (15)	0.0093 (13)
C23	0.0398 (16)	0.0387 (15)	0.0400 (17)	0.0100 (12)	0.0181 (14)	0.0092 (13)
C24	0.0422 (18)	0.0444 (17)	0.062 (2)	0.0041 (14)	0.0205 (17)	−0.0045 (16)
C25	0.0394 (19)	0.060 (2)	0.080 (3)	0.0047 (16)	0.0264 (19)	0.0022 (19)
C26	0.052 (2)	0.062 (2)	0.080 (3)	0.0217 (18)	0.035 (2)	0.007 (2)
C27	0.062 (2)	0.0450 (18)	0.080 (3)	0.0138 (17)	0.037 (2)	0.0017 (18)
C28	0.0507 (19)	0.0395 (16)	0.060 (2)	0.0075 (14)	0.0283 (18)	0.0056 (15)
C29	0.0412 (16)	0.0485 (17)	0.0344 (17)	0.0147 (14)	0.0146 (14)	0.0112 (14)
C30	0.0480 (18)	0.0410 (15)	0.0360 (17)	0.0133 (13)	0.0177 (14)	0.0106 (13)
C31	0.063 (2)	0.0459 (17)	0.0428 (19)	0.0204 (16)	0.0194 (17)	0.0096 (15)
C32	0.093 (3)	0.075 (3)	0.043 (2)	0.044 (2)	0.030 (2)	0.0107 (19)
C33	0.101 (4)	0.120 (4)	0.065 (3)	0.053 (3)	0.057 (3)	0.034 (3)
C34	0.084 (3)	0.103 (4)	0.090 (4)	0.012 (3)	0.056 (3)	0.036 (3)
C35	0.064 (2)	0.061 (2)	0.054 (2)	0.0015 (18)	0.027 (2)	0.0146 (18)
C36	0.0382 (16)	0.0457 (16)	0.0357 (16)	0.0210 (14)	0.0124 (14)	0.0075 (13)
C37	0.0334 (15)	0.0376 (14)	0.0383 (16)	0.0134 (12)	0.0131 (13)	0.0075 (12)
C38	0.0411 (17)	0.0530 (18)	0.0443 (19)	0.0070 (14)	0.0175 (15)	0.0026 (15)
C39	0.0320 (18)	0.119 (4)	0.037 (2)	0.010 (2)	0.0090 (15)	0.005 (2)
C40	0.061 (3)	0.157 (5)	0.062 (3)	0.067 (3)	0.024 (2)	0.047 (3)
C41	0.092 (3)	0.090 (3)	0.093 (3)	0.066 (3)	0.049 (3)	0.053 (3)
C42	0.058 (2)	0.0457 (18)	0.068 (2)	0.0253 (16)	0.0300 (19)	0.0217 (17)
C43	0.102 (3)	0.061 (2)	0.041 (2)	0.003 (2)	0.025 (2)	0.0086 (18)
C44	0.172 (6)	0.076 (3)	0.051 (3)	0.001 (4)	0.052 (4)	−0.003 (2)
C45	0.160 (5)	0.062 (3)	0.072 (3)	0.012 (3)	0.073 (4)	−0.011 (2)
C46	0.066 (2)	0.0283 (15)	0.083 (3)	0.0068 (15)	0.047 (2)	0.0066 (16)
C47	0.090 (3)	0.044 (2)	0.134 (5)	0.025 (2)	0.068 (4)	0.006 (2)
C48	0.073 (3)	0.042 (2)	0.181 (6)	0.027 (2)	0.063 (4)	0.017 (3)
C49	0.049 (2)	0.048 (2)	0.137 (4)	0.0214 (18)	0.029 (3)	0.040 (3)
C50	0.0394 (17)	0.0357 (15)	0.080 (3)	0.0110 (13)	0.0233 (18)	0.0224 (17)
C51	0.060 (2)	0.073 (3)	0.070 (3)	0.010 (2)	−0.002 (2)	0.043 (2)
C52	0.064 (3)	0.089 (3)	0.050 (2)	0.001 (2)	0.002 (2)	0.034 (2)
C53	0.056 (2)	0.075 (2)	0.041 (2)	0.0142 (19)	0.0110 (17)	0.0153 (18)
O20'	0.16 (2)	0.151 (19)	0.059 (12)	0.058 (15)	0.041 (13)	−0.035 (8)
O23'	0.074 (3)	0.081 (6)	0.097 (7)	−0.011 (4)	0.026 (5)	−0.019 (4)
O10'	0.050 (6)	0.032 (5)	0.044 (3)	−0.014 (4)	−0.003 (3)	0.014 (3)
O11'	0.127 (9)	0.051 (5)	0.213 (17)	0.008 (5)	0.094 (12)	0.026 (8)
O14'	0.043 (3)	0.029 (6)	0.061 (6)	0.011 (4)	0.026 (4)	0.019 (3)
O16'	0.067 (4)	0.085 (4)	0.165 (7)	−0.007 (3)	0.049 (5)	−0.029 (4)
O19'	0.172 (18)	0.076 (16)	0.078 (9)	0.023 (12)	0.026 (10)	−0.021 (11)
N10'	0.12 (2)	0.097 (10)	0.022 (13)	0.054 (15)	0.007 (13)	−0.009 (13)
N11'	0.041 (2)	0.084 (7)	0.052 (3)	0.004 (5)	0.012 (2)	0.006 (5)
O24'	0.043 (2)	0.137 (6)	0.073 (4)	0.003 (4)	0.000 (2)	0.017 (5)

Dy1—O1	2.404 (3)	C9—C10	1.380 (4)
Dy1—O2	2.433 (3)	C9—C14	1.387 (5)
Dy1—O5	2.314 (3)	C10—C11	1.374 (5)
Dy1—O9	2.307 (2)	C11—C12	1.374 (6)
Dy1—O13	2.274 (3)	C12—C13	1.365 (7)
Dy1—N1	2.472 (3)	C13—C14	1.389 (7)
Dy1—N3	2.549 (3)	C15—C16	1.497 (4)
Dy1—N5	2.478 (3)	C16—C17	1.380 (4)
Dy2—O6	2.294 (2)	C16—C21	1.373 (5)
Dy2—O10	2.358 (19)	C17—C18	1.369 (5)
Dy2—O14	2.38 (2)	C18—C19	1.361 (8)
Dy2—O18	2.322 (2)	C19—C20	1.375 (8)
Dy2—O21	2.272 (3)	C20—C21	1.397 (7)
Dy2—O10'	2.29 (2)	C22—C23	1.499 (4)
Dy2—O14'	2.20 (3)	C23—C24	1.378 (5)
Dy2—O17i	2.277 (3)	C23—C28	1.386 (5)
Dy2—O22i	2.339 (3)	C24—C25	1.377 (6)
O1—C1	1.256 (5)	C25—C26	1.362 (6)
O2—C1	1.259 (4)	C26—C27	1.370 (6)
O3—N6	1.218 (6)	C27—C28	1.375 (6)
O4—N6	1.216 (6)	C29—C30	1.494 (4)
O5—C8	1.249 (4)	C30—C31	1.385 (5)
O6—C8	1.263 (4)	C30—C35	1.381 (6)
O7—N7	1.213 (6)	C31—C32	1.376 (7)
O8—N7	1.193 (5)	C32—C33	1.359 (8)
O9—C15	1.250 (4)	C33—C34	1.370 (8)
O10—C15	1.207 (19)	C34—C35	1.384 (7)
O10'—C15	1.32 (2)	C36—C37	1.497 (4)
O11—N8	1.283 (14)	C37—C42	1.382 (4)
O11'—N8	1.20 (2)	C37—C38	1.379 (5)
O12—N8	1.215 (8)	C38—C39	1.380 (6)
O13—C22	1.247 (4)	C39—C40	1.358 (9)
O14—C22	1.26 (2)	C40—C41	1.357 (9)
O14'—C22	1.28 (3)	C41—C42	1.384 (7)
O15—N9	1.186 (7)	C43—C44	1.391 (8)
O16—N9	1.267 (12)	C44—C45	1.337 (9)
O16'—N9	1.329 (12)	C46—C47	1.368 (7)
O17—C29	1.251 (4)	C47—C48	1.338 (10)
O18—C29	1.247 (4)	C48—C49	1.392 (9)
O19—N10	1.15 (10)	C49—C50	1.388 (6)
O19'—N10'	1.34 (13)	C51—C52	1.336 (6)
O20—N10	1.15 (7)	C52—C53	1.390 (6)
O20'—N10'	1.31 (9)	C3—H3	0.9300
O21—C36	1.251 (4)	C5—H5	0.9300
O22—C36	1.249 (4)	C6—H6	0.9300
O23—N11	1.183 (15)	C7—H7	0.9300
O23'—N11'	1.26 (2)	C10—H10	0.9300
O24—N11	1.222 (15)	C12—H12	0.9300
O24'—N11'	1.23 (2)	C13—H13	0.9300
N1—C43	1.320 (5)	C14—H14	0.9300
N1—N2	1.354 (5)	C17—H17	0.9300
N2—C45	1.360 (7)	C19—H19	0.9300
N2—C46	1.406 (6)	C20—H20	0.9300
N3—C46	1.340 (5)	C21—H21	0.9300
N3—C50	1.319 (5)	C24—H24	0.9300
N4—C51	1.348 (5)	C26—H26	0.9300
N4—N5	1.358 (4)	C27—H27	0.9300
N4—C50	1.402 (5)	C28—H28	0.9300
N5—C53	1.313 (5)	C31—H31	0.9300
N6—C4	1.465 (6)	C33—H33	0.9300
N7—C11	1.476 (5)	C34—H34	0.9300
N8—C18	1.482 (6)	C35—H35	0.9300
N9—C25	1.459 (7)	C38—H38	0.9300
N10—C32	1.60 (5)	C40—H40	0.9300
N10'—C32	1.34 (6)	C41—H41	0.9300
N11—C39	1.632 (13)	C42—H42	0.9300
N11'—C39	1.369 (16)	C43—H43	0.9300
C1—C2	1.498 (6)	C44—H44	0.9300
C2—C3	1.381 (6)	C45—H45	0.9300
C2—C7	1.385 (6)	C47—H47	0.9300
C3—C4	1.376 (6)	C48—H48	0.9300
C4—C5	1.374 (6)	C49—H49	0.9300
C5—C6	1.372 (8)	C51—H51	0.9300
C6—C7	1.388 (8)	C52—H52	0.9300
C8—C9	1.500 (4)	C53—H53	0.9300
O1—Dy1—O2	53.79 (9)	C9—C14—C13	119.7 (4)
O1—Dy1—O5	146.83 (9)	O9—C15—O10	118.4 (8)
O1—Dy1—O9	132.71 (10)	O9—C15—C16	117.9 (3)
O1—Dy1—O13	85.78 (9)	O9—C15—O10'	130.9 (10)
O1—Dy1—N1	92.97 (10)	O10—C15—C16	123.0 (8)
O1—Dy1—N3	76.10 (9)	O10'—C15—C16	110.9 (10)
O1—Dy1—N5	75.17 (10)	C15—C16—C21	121.4 (3)
O2—Dy1—O5	152.54 (8)	C17—C16—C21	120.1 (3)
O2—Dy1—O9	79.08 (9)	C15—C16—C17	118.5 (3)
O2—Dy1—O13	80.33 (9)	C16—C17—C18	118.3 (4)
O2—Dy1—N1	79.47 (12)	N8—C18—C19	120.1 (4)
O2—Dy1—N3	115.08 (9)	C17—C18—C19	123.0 (4)
O2—Dy1—N5	124.91 (9)	N8—C18—C17	116.9 (4)
O5—Dy1—O9	78.83 (9)	C18—C19—C20	118.6 (5)
O5—Dy1—O13	112.50 (9)	C19—C20—C21	119.7 (4)
O5—Dy1—N1	81.09 (11)	C16—C21—C20	120.1 (4)
O5—Dy1—N3	72.07 (8)	O14'—C22—C23	113.0 (13)
O5—Dy1—N5	82.41 (9)	O14—C22—C23	120.0 (11)
O9—Dy1—O13	82.31 (8)	O13—C22—O14	121.1 (11)
O9—Dy1—N1	80.84 (9)	O13—C22—C23	117.7 (3)
O9—Dy1—N3	136.38 (9)	O13—C22—O14'	129.0 (13)
O9—Dy1—N5	143.44 (9)	C22—C23—C28	120.7 (3)
O13—Dy1—N1	155.77 (11)	C24—C23—C28	119.2 (3)
O13—Dy1—N3	138.76 (8)	C22—C23—C24	120.1 (3)
O13—Dy1—N5	76.31 (9)	C23—C24—C25	118.2 (3)
N1—Dy1—N3	63.33 (10)	N9—C25—C24	119.0 (4)
N1—Dy1—N5	126.76 (10)	N9—C25—C26	117.7 (4)
N3—Dy1—N5	63.43 (9)	C24—C25—C26	123.3 (4)
O6—Dy2—O10	74.2 (4)	C25—C26—C27	118.1 (4)
O6—Dy2—O14	83.5 (5)	C26—C27—C28	120.3 (4)
O6—Dy2—O18	120.81 (8)	C23—C28—C27	120.9 (4)
O6—Dy2—O21	157.47 (9)	O17—C29—O18	125.8 (3)
O6—Dy2—O10'	74.9 (6)	O17—C29—C30	117.0 (3)
O6—Dy2—O14'	89.4 (7)	O18—C29—C30	117.1 (3)
O6—Dy2—O17i	96.50 (9)	C29—C30—C31	119.9 (3)
O6—Dy2—O22i	75.08 (9)	C29—C30—C35	120.5 (3)
O10—Dy2—O14	74.4 (7)	C31—C30—C35	119.5 (3)
O10—Dy2—O18	141.0 (5)	C30—C31—C32	118.2 (4)
O10—Dy2—O21	83.4 (4)	N10—C32—C33	120 (2)
O10—Dy2—O17i	84.3 (4)	C31—C32—C33	123.1 (4)
O10—Dy2—O22i	143.1 (5)	N10'—C32—C31	118 (4)
O14—Dy2—O18	72.3 (5)	N10'—C32—C33	118 (4)
O14—Dy2—O21	92.8 (5)	N10—C32—C31	117 (2)
O14—Dy2—O17i	157.9 (6)	C32—C33—C34	118.4 (5)
O14—Dy2—O22i	121.6 (6)	C33—C34—C35	120.4 (5)
O18—Dy2—O21	78.58 (10)	C30—C35—C34	120.3 (4)
O10'—Dy2—O18	149.3 (7)	O21—C36—C37	116.7 (3)
O14'—Dy2—O18	74.0 (7)	O21—C36—O22	125.6 (3)
O17i—Dy2—O18	124.71 (9)	O22—C36—C37	117.7 (3)
O18—Dy2—O22i	73.73 (10)	C38—C37—C42	119.6 (3)
O10'—Dy2—O21	82.6 (6)	C36—C37—C38	119.9 (3)
O14'—Dy2—O21	85.2 (7)	C36—C37—C42	120.6 (3)
O17i—Dy2—O21	78.66 (10)	C37—C38—C39	118.1 (3)
O21—Dy2—O22i	124.61 (9)	N11—C39—C40	129.1 (6)
O10'—Dy2—O14'	80.4 (9)	C38—C39—C40	122.7 (5)
O10'—Dy2—O17i	74.1 (6)	N11'—C39—C38	131.6 (7)
O10'—Dy2—O22i	136.8 (7)	N11'—C39—C40	105.6 (7)
O14'—Dy2—O17i	151.3 (7)	N11—C39—C38	108.2 (6)
O14'—Dy2—O22i	129.3 (7)	C39—C40—C41	119.0 (6)
O17i—Dy2—O22i	79.31 (9)	C40—C41—C42	120.2 (5)
Dy1—O1—C1	92.2 (2)	C37—C42—C41	120.4 (4)
Dy1—O2—C1	90.7 (2)	N1—C43—C44	111.2 (5)
Dy1—O5—C8	134.5 (2)	C43—C44—C45	105.4 (5)
Dy2—O6—C8	135.76 (19)	N2—C45—C44	108.0 (5)
Dy1—O9—C15	133.2 (2)	N2—C46—N3	114.3 (3)
Dy2—O10—C15	171.1 (14)	N2—C46—C47	122.4 (4)
Dy2—O10'—C15	159.6 (16)	N3—C46—C47	123.4 (4)
Dy1—O13—C22	145.6 (2)	C46—C47—C48	118.4 (6)
Dy2—O14—C22	132.3 (14)	C47—C48—C49	121.1 (5)
Dy2—O14'—C22	148.8 (19)	C48—C49—C50	115.9 (5)
Dy2i—O17—C29	149.3 (2)	N3—C50—C49	124.2 (4)
Dy2—O18—C29	138.4 (2)	N4—C50—C49	120.9 (4)
Dy2—O21—C36	147.8 (2)	N3—C50—N4	114.9 (3)
Dy2i—O22—C36	139.9 (2)	N4—C51—C52	108.2 (4)
Dy1—N1—N2	120.7 (2)	C51—C52—C53	105.0 (4)
Dy1—N1—C43	133.6 (3)	N5—C53—C52	111.6 (4)
N2—N1—C43	105.4 (3)	C2—C3—H3	120.00
N1—N2—C45	109.9 (4)	C4—C3—H3	120.00
C45—N2—C46	130.3 (4)	C4—C5—H5	121.00
N1—N2—C46	119.8 (3)	C6—C5—H5	121.00
Dy1—N3—C50	121.3 (2)	C5—C6—H6	120.00
Dy1—N3—C46	121.2 (2)	C7—C6—H6	120.00
C46—N3—C50	117.0 (3)	C2—C7—H7	120.00
N5—N4—C51	110.3 (3)	C6—C7—H7	120.00
N5—N4—C50	120.0 (3)	C9—C10—H10	121.00
C50—N4—C51	129.7 (3)	C11—C10—H10	120.00
N4—N5—C53	104.9 (3)	C11—C12—H12	121.00
Dy1—N5—N4	119.76 (19)	C13—C12—H12	121.00
Dy1—N5—C53	134.9 (3)	C12—C13—H13	120.00
O4—N6—C4	117.9 (4)	C14—C13—H13	120.00
O3—N6—C4	118.3 (4)	C9—C14—H14	120.00
O3—N6—O4	123.8 (5)	C13—C14—H14	120.00
O7—N7—O8	123.3 (4)	C16—C17—H17	121.00
O7—N7—C11	117.2 (4)	C18—C17—H17	121.00
O8—N7—C11	119.5 (3)	C18—C19—H19	121.00
O11—N8—O12	122.2 (7)	C20—C19—H19	121.00
O11'—N8—O12	121.9 (9)	C19—C20—H20	120.00
O11'—N8—C18	113.0 (8)	C21—C20—H20	120.00
O11—N8—C18	117.5 (6)	C16—C21—H21	120.00
O12—N8—C18	117.5 (6)	C20—C21—H21	120.00
O15—N9—O16'	116.4 (7)	C23—C24—H24	121.00
O15—N9—O16	120.0 (6)	C25—C24—H24	121.00
O15—N9—C25	119.6 (5)	C25—C26—H26	121.00
O16'—N9—C25	115.4 (7)	C27—C26—H26	121.00
O16—N9—C25	115.8 (6)	C26—C27—H27	120.00
O19—N10—C32	116 (4)	C28—C27—H27	120.00
O20—N10—C32	121 (6)	C23—C28—H28	120.00
O19—N10—O20	121 (6)	C27—C28—H28	120.00
O19'—N10'—C32	115 (6)	C30—C31—H31	121.00
O19'—N10'—O20'	125 (5)	C32—C31—H31	121.00
O20'—N10'—C32	113 (7)	C32—C33—H33	121.00
O23—N11—C39	122.6 (11)	C34—C33—H33	121.00
O24—N11—C39	111.3 (9)	C33—C34—H34	120.00
O23—N11—O24	126.0 (12)	C35—C34—H34	120.00
O23'—N11'—C39	108.9 (14)	C30—C35—H35	120.00
O24'—N11'—C39	125.9 (12)	C34—C35—H35	120.00
O23'—N11'—O24'	125.1 (16)	C37—C38—H38	121.00
O1—C1—C2	119.5 (3)	C39—C38—H38	121.00
O2—C1—C2	119.5 (3)	C39—C40—H40	121.00
O1—C1—O2	121.0 (4)	C41—C40—H40	120.00
C1—C2—C3	120.2 (3)	C40—C41—H41	120.00
C3—C2—C7	119.4 (4)	C42—C41—H41	120.00
C1—C2—C7	120.3 (4)	C37—C42—H42	120.00
C2—C3—C4	119.3 (3)	C41—C42—H42	120.00
C3—C4—C5	122.1 (4)	N1—C43—H43	124.00
N6—C4—C3	118.9 (3)	C44—C43—H43	124.00
N6—C4—C5	119.0 (4)	C43—C44—H44	127.00
C4—C5—C6	118.4 (5)	C45—C44—H44	127.00
C5—C6—C7	120.7 (5)	N2—C45—H45	126.00
C2—C7—C6	120.1 (4)	C44—C45—H45	126.00
O6—C8—C9	117.8 (3)	C46—C47—H47	121.00
O5—C8—O6	124.0 (3)	C48—C47—H47	121.00
O5—C8—C9	118.2 (3)	C47—C48—H48	119.00
C8—C9—C14	121.9 (3)	C49—C48—H48	119.00
C10—C9—C14	119.7 (3)	C48—C49—H49	122.00
C8—C9—C10	118.5 (2)	C50—C49—H49	122.00
C9—C10—C11	119.0 (3)	N4—C51—H51	126.00
N7—C11—C12	120.3 (4)	C52—C51—H51	126.00
C10—C11—C12	122.2 (4)	C51—C52—H52	127.00
N7—C11—C10	117.4 (3)	C53—C52—H52	128.00
C11—C12—C13	118.5 (5)	N5—C53—H53	124.00
C12—C13—C14	120.9 (4)	C52—C53—H53	124.00
O2—Dy1—O1—C1	8.58 (18)	C45—N2—C46—N3	169.9 (5)
O5—Dy1—O1—C1	161.44 (18)	N1—N2—C45—C44	−1.9 (7)
O9—Dy1—O1—C1	3.0 (2)	N1—N2—C46—N3	−9.4 (6)
O13—Dy1—O1—C1	−72.5 (2)	Dy1—N3—C46—N2	8.7 (4)
N1—Dy1—O1—C1	83.2 (2)	Dy1—N3—C50—N4	−7.3 (4)
N3—Dy1—O1—C1	144.8 (2)	C46—N3—C50—N4	−179.5 (3)
N5—Dy1—O1—C1	−149.5 (2)	C50—N3—C46—C47	1.5 (6)
O1—Dy1—O2—C1	−8.55 (18)	Dy1—N3—C50—C49	172.3 (3)
O5—Dy1—O2—C1	−155.8 (2)	C46—N3—C50—C49	0.1 (6)
O9—Dy1—O2—C1	167.2 (2)	C50—N3—C46—N2	−179.1 (3)
O13—Dy1—O2—C1	83.29 (19)	Dy1—N3—C46—C47	−170.7 (4)
N1—Dy1—O2—C1	−110.2 (2)	C51—N4—N5—C53	0.4 (4)
N3—Dy1—O2—C1	−56.4 (2)	C51—N4—C50—C49	8.9 (6)
N5—Dy1—O2—C1	17.6 (2)	C50—N4—N5—C53	179.8 (4)
O1—Dy1—O5—C8	124.8 (3)	C51—N4—N5—Dy1	173.7 (3)
O2—Dy1—O5—C8	−108.2 (3)	C50—N4—C51—C52	−179.5 (4)
O9—Dy1—O5—C8	−71.2 (3)	N5—N4—C51—C52	−0.2 (5)
O13—Dy1—O5—C8	5.6 (3)	N5—N4—C50—C49	−170.4 (4)
N1—Dy1—O5—C8	−153.5 (3)	C50—N4—N5—Dy1	−6.9 (4)
N3—Dy1—O5—C8	141.8 (3)	C51—N4—C50—N3	−171.5 (4)
N5—Dy1—O5—C8	77.3 (3)	N5—N4—C50—N3	9.2 (5)
O1—Dy1—O9—C15	−130.3 (3)	N4—N5—C53—C52	−0.4 (5)
O2—Dy1—O9—C15	−135.0 (3)	Dy1—N5—C53—C52	−172.2 (3)
O5—Dy1—O9—C15	61.5 (3)	O3—N6—C4—C3	168.8 (4)
O13—Dy1—O9—C15	−53.4 (3)	O3—N6—C4—C5	−9.4 (6)
N1—Dy1—O9—C15	144.1 (3)	O4—N6—C4—C3	−11.5 (6)
N3—Dy1—O9—C15	110.0 (3)	O4—N6—C4—C5	170.4 (4)
N5—Dy1—O9—C15	1.0 (4)	O8—N7—C11—C12	−177.2 (4)
O1—Dy1—O13—C22	−168.1 (4)	O8—N7—C11—C10	2.2 (5)
O2—Dy1—O13—C22	137.9 (4)	O7—N7—C11—C12	5.1 (6)
O5—Dy1—O13—C22	−16.7 (4)	O7—N7—C11—C10	−175.6 (4)
O9—Dy1—O13—C22	57.7 (4)	O11—N8—C18—C17	−3.6 (12)
N1—Dy1—O13—C22	104.0 (4)	O11—N8—C18—C19	178.4 (10)
N3—Dy1—O13—C22	−104.9 (4)	O12—N8—C18—C17	158.2 (6)
N5—Dy1—O13—C22	−92.4 (4)	O12—N8—C18—C19	−19.9 (10)
O1—Dy1—N1—N2	72.0 (3)	O16—N9—C25—C24	31.5 (8)
O1—Dy1—N1—C43	−101.8 (4)	O15—N9—C25—C26	7.4 (7)
O2—Dy1—N1—N2	124.3 (3)	O15—N9—C25—C24	−172.6 (5)
O2—Dy1—N1—C43	−49.5 (4)	O16—N9—C25—C26	−148.5 (6)
O5—Dy1—N1—N2	−75.2 (3)	O20—N10—C32—C33	17 (7)
O5—Dy1—N1—C43	111.0 (4)	O19—N10—C32—C33	177 (5)
O9—Dy1—N1—N2	−155.2 (3)	O20—N10—C32—C31	−166 (5)
O9—Dy1—N1—C43	31.0 (4)	O19—N10—C32—C31	−5 (7)
O13—Dy1—N1—N2	158.3 (3)	O23—N11—C39—C38	−15.1 (14)
O13—Dy1—N1—C43	−15.5 (6)	O24—N11—C39—C38	167.6 (8)
N3—Dy1—N1—N2	−0.8 (3)	O24—N11—C39—C40	−12.5 (13)
N3—Dy1—N1—C43	−174.7 (5)	O23—N11—C39—C40	164.8 (11)
N5—Dy1—N1—N2	−1.7 (4)	O2—C1—C2—C7	173.5 (3)
N5—Dy1—N1—C43	−175.5 (4)	O1—C1—C2—C7	−4.2 (5)
O1—Dy1—N3—C46	−105.0 (3)	O2—C1—C2—C3	−3.9 (5)
O1—Dy1—N3—C50	83.1 (3)	O1—C1—C2—C3	178.4 (3)
O2—Dy1—N3—C46	−67.0 (3)	C1—C2—C7—C6	−177.5 (4)
O2—Dy1—N3—C50	121.1 (3)	C3—C2—C7—C6	−0.1 (6)
O5—Dy1—N3—C46	84.4 (3)	C7—C2—C3—C4	−0.7 (6)
O5—Dy1—N3—C50	−87.4 (3)	C1—C2—C3—C4	176.7 (3)
O9—Dy1—N3—C46	33.8 (3)	C2—C3—C4—C5	0.8 (6)
O9—Dy1—N3—C50	−138.0 (3)	C2—C3—C4—N6	−177.3 (4)
O13—Dy1—N3—C46	−171.6 (3)	N6—C4—C5—C6	178.0 (4)
O13—Dy1—N3—C50	16.5 (3)	C3—C4—C5—C6	−0.1 (6)
N1—Dy1—N3—C46	−4.4 (3)	C4—C5—C6—C7	−0.7 (7)
N1—Dy1—N3—C50	−176.3 (3)	C5—C6—C7—C2	0.8 (7)
N5—Dy1—N3—C46	174.8 (3)	O6—C8—C9—C14	178.3 (3)
N5—Dy1—N3—C50	3.0 (3)	O6—C8—C9—C10	−1.9 (4)
O1—Dy1—N5—N4	−79.5 (2)	O5—C8—C9—C10	176.8 (3)
O1—Dy1—N5—C53	91.4 (4)	O5—C8—C9—C14	−3.0 (5)
O2—Dy1—N5—N4	−101.1 (2)	C14—C9—C10—C11	−0.7 (5)
O2—Dy1—N5—C53	69.8 (4)	C8—C9—C14—C13	−179.9 (4)
O5—Dy1—N5—N4	75.8 (2)	C8—C9—C10—C11	179.5 (3)
O5—Dy1—N5—C53	−113.3 (4)	C10—C9—C14—C13	0.3 (6)
O9—Dy1—N5—N4	135.3 (2)	C9—C10—C11—N7	−178.7 (3)
O9—Dy1—N5—C53	−53.8 (4)	C9—C10—C11—C12	0.6 (6)
O13—Dy1—N5—N4	−168.7 (3)	C10—C11—C12—C13	−0.2 (7)
O13—Dy1—N5—C53	2.2 (4)	N7—C11—C12—C13	179.2 (4)
N1—Dy1—N5—N4	3.0 (3)	C11—C12—C13—C14	−0.2 (7)
N1—Dy1—N5—C53	173.9 (4)	C12—C13—C14—C9	0.2 (7)
N3—Dy1—N5—N4	2.1 (2)	O9—C15—C16—C17	177.0 (3)
N3—Dy1—N5—C53	173.0 (4)	O10—C15—C16—C21	165.1 (12)
O10—Dy2—O6—C8	−34.4 (5)	O9—C15—C16—C21	−5.3 (5)
O14—Dy2—O6—C8	−110.0 (6)	O10—C15—C16—C17	−12.6 (12)
O18—Dy2—O6—C8	−174.9 (3)	C21—C16—C17—C18	−3.1 (6)
O21—Dy2—O6—C8	−28.2 (4)	C17—C16—C21—C20	4.5 (6)
O17i—Dy2—O6—C8	47.8 (3)	C15—C16—C17—C18	174.6 (4)
O22i—Dy2—O6—C8	124.9 (3)	C15—C16—C21—C20	−173.1 (4)
O6—Dy2—O14—C22	92.0 (19)	C16—C17—C18—N8	−179.3 (5)
O10—Dy2—O14—C22	16.6 (18)	C16—C17—C18—C19	−1.3 (8)
O18—Dy2—O14—C22	−143 (2)	C17—C18—C19—C20	4.2 (9)
O21—Dy2—O14—C22	−65.7 (19)	N8—C18—C19—C20	−177.9 (6)
O17i—Dy2—O14—C22	1 (3)	C18—C19—C20—C21	−2.6 (9)
O22i—Dy2—O14—C22	160.0 (16)	C19—C20—C21—C16	−1.6 (8)
O6—Dy2—O18—C29	−142.6 (3)	O14—C22—C23—C28	−19.0 (12)
O10—Dy2—O18—C29	114.0 (7)	O14—C22—C23—C24	159.7 (11)
O14—Dy2—O18—C29	146.6 (7)	O13—C22—C23—C28	172.9 (3)
O21—Dy2—O18—C29	49.8 (4)	O13—C22—C23—C24	−8.4 (4)
O17i—Dy2—O18—C29	−17.6 (4)	C28—C23—C24—C25	1.9 (5)
O22i—Dy2—O18—C29	−81.7 (4)	C22—C23—C24—C25	−176.9 (3)
O6—Dy2—O21—C36	124.1 (4)	C24—C23—C28—C27	−1.7 (5)
O10—Dy2—O21—C36	130.1 (6)	C22—C23—C28—C27	177.1 (3)
O14—Dy2—O21—C36	−155.9 (7)	C23—C24—C25—C26	−0.5 (6)
O18—Dy2—O21—C36	−84.6 (4)	C23—C24—C25—N9	179.5 (4)
O17i—Dy2—O21—C36	44.6 (4)	C24—C25—C26—C27	−1.3 (6)
O22i—Dy2—O21—C36	−23.7 (5)	N9—C25—C26—C27	178.8 (4)
O6—Dy2—O17i—C29i	139.3 (5)	C25—C26—C27—C28	1.5 (6)
O10—Dy2—O17i—C29i	−147.4 (6)	C26—C27—C28—C23	0.0 (6)
O14—Dy2—O17i—C29i	−131.9 (15)	O18—C29—C30—C35	18.0 (5)
O18—Dy2—O17i—C29i	4.4 (5)	O17—C29—C30—C35	−161.0 (3)
O21—Dy2—O17i—C29i	−63.0 (5)	O17—C29—C30—C31	15.9 (5)
O6—Dy2—O22i—C36i	−157.9 (3)	O18—C29—C30—C31	−165.1 (3)
O10—Dy2—O22i—C36i	−123.4 (7)	C31—C30—C35—C34	−2.3 (6)
O14—Dy2—O22i—C36i	129.6 (7)	C35—C30—C31—C32	0.7 (6)
O18—Dy2—O22i—C36i	73.1 (3)	C29—C30—C31—C32	−176.3 (4)
O21—Dy2—O22i—C36i	9.9 (4)	C29—C30—C35—C34	174.6 (4)
Dy1—O1—C1—O2	−15.7 (3)	C30—C31—C32—C33	2.0 (7)
Dy1—O1—C1—C2	161.9 (3)	C30—C31—C32—N10	−175 (3)
Dy1—O2—C1—O1	15.5 (3)	C31—C32—C33—C34	−2.9 (8)
Dy1—O2—C1—C2	−162.1 (3)	N10—C32—C33—C34	174 (3)
Dy1—O5—C8—C9	155.8 (2)	C32—C33—C34—C35	1.2 (9)
Dy1—O5—C8—O6	−25.6 (5)	C33—C34—C35—C30	1.4 (8)
Dy2—O6—C8—C9	−80.8 (4)	O22—C36—C37—C42	2.3 (4)
Dy2—O6—C8—O5	100.6 (3)	O21—C36—C37—C38	2.6 (4)
Dy1—O9—C15—C16	174.5 (2)	O21—C36—C37—C42	−178.3 (3)
Dy1—O9—C15—O10	3.7 (12)	O22—C36—C37—C38	−176.8 (3)
Dy1—O13—C22—C23	−150.7 (3)	C36—C37—C38—C39	178.2 (3)
Dy1—O13—C22—O14	41.3 (13)	C42—C37—C38—C39	−0.9 (5)
Dy2—O14—C22—O13	−88.0 (17)	C38—C37—C42—C41	0.6 (6)
Dy2—O14—C22—C23	104.4 (17)	C36—C37—C42—C41	−178.5 (4)
Dy2i—O17—C29—C30	170.0 (3)	C37—C38—C39—N11	−179.0 (5)
Dy2i—O17—C29—O18	−8.9 (7)	C37—C38—C39—C40	1.1 (6)
Dy2—O18—C29—O17	19.0 (6)	N11—C39—C40—C41	179.0 (7)
Dy2—O18—C29—C30	−159.9 (2)	C38—C39—C40—C41	−1.1 (8)
Dy2—O21—C36—C37	−157.9 (3)	C39—C40—C41—C42	0.8 (8)
Dy2—O21—C36—O22	21.4 (6)	C40—C41—C42—C37	−0.6 (8)
Dy2i—O22—C36—C37	176.2 (2)	N1—C43—C44—C45	−0.2 (8)
Dy2i—O22—C36—O21	−3.1 (5)	C43—C44—C45—N2	1.2 (8)
C43—N1—N2—C46	−178.9 (4)	N2—C46—C47—C48	178.3 (5)
Dy1—N1—C43—C44	173.6 (4)	N3—C46—C47—C48	−2.3 (8)
N2—N1—C43—C44	−0.9 (6)	C46—C47—C48—C49	1.5 (8)
Dy1—N1—N2—C45	−173.7 (4)	C47—C48—C49—C50	0.0 (8)
Dy1—N1—N2—C46	5.8 (5)	C48—C49—C50—N3	−0.9 (7)
C43—N1—N2—C45	1.7 (6)	C48—C49—C50—N4	178.7 (4)
C46—N2—C45—C44	178.8 (5)	N4—C51—C52—C53	−0.1 (5)
N1—N2—C46—C47	170.0 (4)	C51—C52—C53—N5	0.3 (5)
C45—N2—C46—C47	−10.7 (8)

D—H···A	D—H	H···A	D···A	D—H···A
C10—H10···O22i	0.93	2.45	3.366 (4)	170
C43—H43···O2ii	0.93	2.47	3.212 (5)	137
C51—H51···O6iii	0.93	2.32	3.243 (5)	172

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C10—H10⋯O22i	0.93	2.45	3.366 (4)	170
C43—H43⋯O2ii	0.93	2.47	3.212 (5)	137
C51—H51⋯O6iii	0.93	2.32	3.243 (5)	172

Symmetry codes: (i) ; (ii) ; (iii) .