Poly[[tetra-aqua-tetra-kis-[μ(3)-5-(pyridine-4-carboxamido)-isophthalato]cobalt(II)dierbium(III)] tetra-hydrate].

In the centrosymmetric polymeric title compound, {[CoEr(2)(C(14)H(8)N(2)O(5))(4)(H(2)O)(4)]·4H(2)O}(n), the Er(III) cation has a coordination number of eight and is surrounded by seven carboxyl-ate O atoms from four 5-(pyridine-4-carboxamido)-isophthalate (L) ligands and one water mol-ecule, forming a distorted square-anti-prismatic arrangement. The Co(II) cation is located on an inversion center and is coordinated by two pyridine N atoms, two carboxyl-ate O atoms and two water mol-ecules in a distorted octa-hedral geometry. The asymmetric unit contains two anionic L ligands. One bridges two Er(III) cations and one Co(II) cation through two carboxyl-ate groups and one pyridine N atom, while the other bridges two Er(III) cations and one Co(II) cation through two carboxyl-ate groups. Extensive O-H⋯O, O-H⋯N and N-H⋯O hydrogen-bonding inter-actions are present in the crystal, involving all uncoordinated water mol-ecules and the uncoordinated pyridine N atom of one of the ligands bonded to an adjacent coordinated water mol-ecule. The title compound is isotypic with the gadolinium analogue.

Related literature

For the isotypic structure of the gadolinium analogue, see: Deng et al. (2011 ▶). For related hetero-metallic complexes, see: Chen et al. (2011a ▶,b ▶); Gu & Xue (2006 ▶); Liang et al. (2000 ▶); Prasad et al. (2007 ▶); Zhao et al. (2003 ▶, 2004 ▶).

Experimental

Crystal data

[CoEr2(C14H8N2O5)4(H2O)4]·4H2O

M = 1674.47

Triclinic,

a = 10.0816 (9) Å

b = 10.7844 (10) Å

c = 13.7316 (12) Å

α = 79.174 (1)°

β = 78.771 (2)°

γ = 86.355 (2)°

V = 1437.7 (2) Å3

Z = 1

Mo Kα radiation

μ = 3.28 mm−1

T = 293 K

0.20 × 0.18 × 0.10 mm

Data collection

Bruker SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2000 ▶) T min = 0.560, T max = 0.735

7172 measured reflections

4979 independent reflections

4649 reflections with I > 2σ(I)

R int = 0.096

Refinement

R[F 2 > 2σ(F 2)] = 0.052

wR(F 2) = 0.136

S = 1.02

4979 reflections

430 parameters

H-atom parameters constrained

Δρmax = 3.52 e Å−3

Δρmin = −2.99 e Å−3

Data collection: SMART (Bruker, 2000 ▶); cell refinement: SAINT (Bruker, 2000 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: XP in SHELXTL and DIAMOND (Brandenburg, 1999 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536811039948/wm2536sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811039948/wm2536Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[CoEr2(C14H8N2O5)4(H2O)4]·4H2O	Z = 1
Mr = 1674.47	F(000) = 827
Triclinic, P1	Dx = 1.934 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.0816 (9) Å	Cell parameters from 5230 reflections
b = 10.7844 (10) Å	θ = 2.3–28.1°
c = 13.7316 (12) Å	µ = 3.28 mm−1
α = 79.174 (1)°	T = 293 K
β = 78.771 (2)°	Block, pink
γ = 86.355 (2)°	0.20 × 0.18 × 0.10 mm
V = 1437.7 (2) Å3

Bruker SMART CCD area-detector diffractometer	4979 independent reflections
Radiation source: fine-focus sealed tube	4649 reflections with I > 2σ(I)
graphite	Rint = 0.096
φ and ω scans	θmax = 25.0°, θmin = 1.9°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −5→12
Tmin = 0.560, Tmax = 0.735	k = −12→12
7172 measured reflections	l = −15→16

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)] = 0.052	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.136	H-atom parameters constrained
S = 1.02	w = 1/[σ2(Fo2) + (0.1058P)2] where P = (Fo2 + 2Fc2)/3
4979 reflections	(Δ/σ)max = 0.001
430 parameters	Δρmax = 3.52 e Å−3
0 restraints	Δρmin = −2.99 e Å−3

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

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 > σ(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
Co1	−0.5000	0.5000	1.0000	0.0223 (3)
Er1	−0.18176 (2)	0.92224 (2)	0.796262 (18)	0.01355 (14)
C1	−0.2010 (6)	0.5274 (6)	0.7723 (5)	0.0162 (12)
C2	−0.1777 (7)	0.5835 (6)	0.6709 (5)	0.0203 (13)
H2A	−0.1712	0.6707	0.6528	0.024*
C3	−0.1640 (6)	0.5091 (6)	0.5959 (5)	0.0178 (13)
C4	−0.1655 (6)	0.3777 (6)	0.6249 (5)	0.0187 (13)
H4A	−0.1543	0.3266	0.5762	0.022*
C5	−0.1833 (6)	0.3243 (6)	0.7250 (5)	0.0165 (12)
C6	−0.2041 (6)	0.3972 (6)	0.8004 (5)	0.0187 (13)
H6A	−0.2197	0.3594	0.8682	0.022*
C7	−0.1869 (6)	0.1837 (6)	0.7518 (5)	0.0178 (13)
C8	−0.2318 (7)	0.6074 (6)	0.8526 (5)	0.0205 (14)
C9	−0.1651 (7)	0.5169 (7)	0.4170 (5)	0.0264 (15)
C10	−0.1506 (7)	0.6000 (7)	0.3142 (5)	0.0239 (15)
C11	−0.1432 (8)	0.5403 (8)	0.2318 (5)	0.0325 (17)
H11A	−0.1416	0.4526	0.2406	0.039*
C12	−0.1385 (9)	0.6116 (8)	0.1383 (5)	0.0356 (18)
H12A	−0.1338	0.5698	0.0843	0.043*
C13	−0.1448 (8)	0.7939 (8)	0.1996 (6)	0.0337 (17)
H13A	−0.1442	0.8816	0.1888	0.040*
C14	−0.1505 (8)	0.7294 (7)	0.2963 (5)	0.0284 (16)
H14A	−0.1543	0.7730	0.3491	0.034*
C15	0.2360 (7)	0.8871 (6)	0.6690 (5)	0.0198 (14)
C16	0.2649 (6)	0.8586 (6)	0.5711 (5)	0.0188 (13)
H16A	0.1946	0.8527	0.5375	0.023*
C17	0.3943 (6)	0.8397 (6)	0.5257 (5)	0.0182 (13)
C18	0.5006 (6)	0.8521 (6)	0.5738 (5)	0.0192 (13)
H18A	0.5896	0.8420	0.5413	0.023*
C19	0.4738 (6)	0.8796 (6)	0.6698 (5)	0.0191 (13)
C20	0.3414 (6)	0.8968 (6)	0.7185 (5)	0.0199 (13)
H20A	0.3237	0.9147	0.7835	0.024*
C21	0.0908 (6)	0.9019 (6)	0.7170 (5)	0.0195 (13)
C22	0.5927 (6)	0.8916 (6)	0.7177 (5)	0.0181 (13)
C23	0.5058 (6)	0.7065 (7)	0.4098 (5)	0.0211 (14)
C24	0.5094 (6)	0.6636 (7)	0.3100 (5)	0.0226 (14)
C25	0.5104 (7)	0.5355 (7)	0.3108 (5)	0.0258 (15)
H25A	0.5077	0.4783	0.3709	0.031*
C26	0.5155 (7)	0.4933 (7)	0.2211 (5)	0.0274 (15)
H26A	0.5150	0.4068	0.2225	0.033*
C27	0.5258 (8)	0.6949 (7)	0.1321 (5)	0.0300 (16)
H27A	0.5354	0.7497	0.0703	0.036*
C28	0.5172 (7)	0.7460 (7)	0.2184 (5)	0.0262 (15)
H28A	0.5167	0.8330	0.2151	0.031*
N1	−0.1457 (5)	0.5694 (5)	0.4954 (4)	0.0197 (11)
H1	−0.1199	0.6463	0.4819	0.024*
N2	−0.1400 (7)	0.7376 (7)	0.1191 (5)	0.0352 (15)
N3	0.4213 (5)	0.8043 (5)	0.4280 (4)	0.0199 (12)
H3	0.3831	0.8460	0.3806	0.024*
N4	0.5212 (6)	0.5710 (6)	0.1323 (4)	0.0243 (13)
O1	−0.3059 (5)	0.5656 (5)	0.9346 (3)	0.0292 (11)
O2	−0.1793 (5)	0.7147 (4)	0.8335 (4)	0.0280 (11)
O3	−0.1703 (6)	0.1271 (4)	0.8379 (3)	0.0325 (12)
O4	−0.2075 (6)	0.1200 (5)	0.6898 (4)	0.0331 (12)
O5	−0.1926 (8)	0.4070 (5)	0.4251 (4)	0.0521 (18)
O6	0.0561 (5)	0.9015 (5)	0.8108 (4)	0.0279 (12)
O7	0.0016 (5)	0.9159 (6)	0.6644 (3)	0.0356 (13)
O8	0.5758 (5)	0.9079 (5)	0.8090 (4)	0.0285 (12)
O9	0.7095 (4)	0.8844 (4)	0.6686 (3)	0.0214 (10)
O10	0.5752 (5)	0.6497 (6)	0.4668 (4)	0.0357 (13)
O1W	−0.4267 (6)	0.3145 (5)	1.0665 (4)	0.0339 (12)
H1WB	−0.3591	0.2868	1.0285	0.041*
H1WA	−0.4880	0.2603	1.0843	0.041*
O2W	−0.2229 (6)	0.9033 (5)	0.9693 (4)	0.0335 (12)
H2WB	−0.1908	0.9650	0.9863	0.040*
H2WC	−0.1880	0.8351	0.9967	0.040*
O3W	0.9154 (8)	0.8418 (6)	0.4834 (4)	0.0568 (19)
H3WA	0.9711	0.8601	0.5171	0.068*
H3WB	0.8369	0.8457	0.5189	0.068*
O4W	0.8025 (7)	0.1615 (8)	0.0328 (5)	0.066 (2)
H4WA	0.8294	0.1409	−0.0248	0.079*
H4WB	0.8595	0.1331	0.0702	0.079*

	U11	U22	U33	U12	U13	U23
Co1	0.0270 (7)	0.0208 (7)	0.0212 (6)	−0.0031 (5)	−0.0058 (5)	−0.0071 (5)
Er1	0.0144 (2)	0.0097 (2)	0.0188 (2)	0.00035 (12)	−0.00753 (12)	−0.00390 (12)
C1	0.017 (3)	0.011 (3)	0.021 (3)	−0.001 (2)	−0.005 (2)	−0.004 (2)
C2	0.023 (3)	0.012 (3)	0.026 (3)	0.000 (3)	−0.004 (3)	−0.003 (3)
C3	0.016 (3)	0.015 (3)	0.023 (3)	0.001 (2)	−0.005 (2)	−0.003 (2)
C4	0.017 (3)	0.016 (3)	0.026 (3)	−0.002 (2)	−0.006 (3)	−0.007 (3)
C5	0.016 (3)	0.012 (3)	0.023 (3)	0.002 (2)	−0.007 (2)	−0.004 (2)
C6	0.017 (3)	0.016 (3)	0.023 (3)	−0.001 (3)	−0.007 (3)	−0.001 (3)
C7	0.014 (3)	0.018 (3)	0.021 (3)	0.000 (3)	−0.006 (2)	−0.002 (3)
C8	0.021 (3)	0.017 (3)	0.027 (3)	0.008 (3)	−0.013 (3)	−0.006 (3)
C9	0.031 (4)	0.024 (4)	0.026 (3)	0.000 (3)	−0.012 (3)	−0.005 (3)
C10	0.018 (3)	0.029 (4)	0.028 (4)	−0.001 (3)	−0.010 (3)	−0.006 (3)
C11	0.041 (4)	0.029 (4)	0.031 (4)	0.002 (3)	−0.011 (3)	−0.009 (3)
C12	0.045 (5)	0.042 (5)	0.022 (4)	0.001 (4)	−0.008 (3)	−0.011 (3)
C13	0.040 (4)	0.028 (4)	0.035 (4)	−0.007 (3)	−0.016 (3)	0.002 (3)
C14	0.032 (4)	0.030 (4)	0.026 (4)	−0.003 (3)	−0.014 (3)	−0.002 (3)
C15	0.017 (3)	0.016 (3)	0.028 (3)	0.001 (3)	−0.008 (3)	−0.006 (3)
C16	0.016 (3)	0.020 (3)	0.024 (3)	0.002 (3)	−0.012 (2)	−0.005 (3)
C17	0.022 (3)	0.014 (3)	0.022 (3)	0.000 (3)	−0.010 (3)	−0.006 (2)
C18	0.014 (3)	0.019 (3)	0.025 (3)	0.000 (2)	−0.007 (3)	−0.003 (3)
C19	0.013 (3)	0.019 (3)	0.027 (3)	−0.003 (3)	−0.008 (3)	−0.003 (3)
C20	0.022 (3)	0.023 (3)	0.019 (3)	0.002 (3)	−0.009 (3)	−0.011 (3)
C21	0.020 (3)	0.013 (3)	0.028 (3)	−0.003 (2)	−0.009 (3)	−0.006 (3)
C22	0.018 (3)	0.011 (3)	0.029 (3)	−0.006 (2)	−0.007 (3)	−0.008 (3)
C23	0.015 (3)	0.031 (4)	0.019 (3)	−0.001 (3)	−0.005 (3)	−0.006 (3)
C24	0.009 (3)	0.035 (4)	0.026 (3)	0.002 (3)	−0.003 (2)	−0.011 (3)
C25	0.031 (4)	0.030 (4)	0.020 (3)	0.002 (3)	−0.009 (3)	−0.009 (3)
C26	0.036 (4)	0.027 (4)	0.024 (3)	0.004 (3)	−0.012 (3)	−0.013 (3)
C27	0.037 (4)	0.031 (4)	0.022 (3)	−0.007 (3)	−0.006 (3)	−0.002 (3)
C28	0.026 (4)	0.029 (4)	0.028 (3)	−0.003 (3)	−0.006 (3)	−0.013 (3)
N1	0.025 (3)	0.013 (3)	0.022 (3)	0.001 (2)	−0.009 (2)	0.000 (2)
N2	0.040 (4)	0.040 (4)	0.027 (3)	−0.004 (3)	−0.016 (3)	0.001 (3)
N3	0.022 (3)	0.026 (3)	0.015 (3)	0.002 (2)	−0.010 (2)	−0.006 (2)
N4	0.021 (3)	0.029 (3)	0.026 (3)	−0.003 (2)	−0.003 (2)	−0.013 (3)
O1	0.030 (3)	0.032 (3)	0.025 (2)	−0.009 (2)	0.001 (2)	−0.009 (2)
O2	0.043 (3)	0.009 (2)	0.033 (3)	−0.005 (2)	−0.010 (2)	−0.0046 (19)
O3	0.069 (4)	0.011 (2)	0.023 (2)	−0.004 (2)	−0.020 (2)	−0.0013 (19)
O4	0.062 (4)	0.017 (3)	0.029 (3)	−0.002 (2)	−0.025 (2)	−0.007 (2)
O5	0.106 (6)	0.021 (3)	0.035 (3)	−0.020 (3)	−0.028 (3)	0.002 (2)
O6	0.019 (2)	0.045 (3)	0.024 (2)	−0.001 (2)	−0.0048 (19)	−0.015 (2)
O7	0.017 (2)	0.066 (4)	0.024 (2)	0.005 (2)	−0.007 (2)	−0.005 (2)
O8	0.022 (3)	0.046 (3)	0.025 (2)	−0.002 (2)	−0.009 (2)	−0.017 (2)
O9	0.012 (2)	0.026 (3)	0.029 (2)	0.0022 (18)	−0.0079 (18)	−0.010 (2)
O10	0.034 (3)	0.046 (3)	0.035 (3)	0.018 (3)	−0.021 (2)	−0.020 (2)
O1W	0.040 (3)	0.029 (3)	0.033 (3)	0.000 (2)	−0.007 (2)	−0.007 (2)
O2W	0.054 (3)	0.021 (3)	0.026 (2)	0.002 (2)	−0.016 (2)	0.000 (2)
O3W	0.104 (6)	0.038 (4)	0.032 (3)	−0.018 (4)	−0.013 (3)	−0.012 (3)
O4W	0.053 (4)	0.111 (7)	0.034 (3)	0.023 (4)	−0.015 (3)	−0.014 (4)

Co1—O1i	2.095 (5)	C15—C16	1.406 (9)
Co1—O1	2.095 (5)	C15—C21	1.495 (9)
Co1—N4ii	2.152 (5)	C16—C17	1.353 (9)
Co1—N4iii	2.152 (5)	C16—H16A	0.9300
Co1—O1W	2.184 (5)	C17—C18	1.390 (9)
Co1—O1Wi	2.184 (5)	C17—N3	1.434 (8)
Er1—O2	2.200 (5)	C18—C19	1.377 (9)
Er1—O2W	2.303 (5)	C18—H18A	0.9300
Er1—O7	2.330 (5)	C19—C20	1.389 (9)
Er1—O9iv	2.348 (4)	C19—C22	1.498 (9)
Er1—O4v	2.379 (5)	C20—H20A	0.9300
Er1—O3v	2.398 (5)	C21—O7	1.245 (8)
Er1—O8iv	2.429 (5)	C21—O6	1.266 (8)
Er1—O6	2.438 (5)	C22—O9	1.243 (8)
C1—C6	1.385 (9)	C22—O8	1.277 (8)
C1—C2	1.390 (9)	C23—O10	1.207 (8)
C1—C8	1.500 (8)	C23—N3	1.342 (9)
C2—C3	1.402 (9)	C23—C24	1.521 (9)
C2—H2A	0.9300	C24—C25	1.379 (10)
C3—C4	1.398 (9)	C24—C28	1.389 (10)
C3—N1	1.393 (8)	C25—C26	1.382 (9)
C4—C5	1.368 (9)	C25—H25A	0.9300
C4—H4A	0.9300	C26—N4	1.336 (10)
C5—C6	1.392 (9)	C26—H26A	0.9300
C5—C7	1.492 (9)	C27—N4	1.339 (10)
C6—H6A	0.9300	C27—C28	1.384 (10)
C7—O4	1.244 (8)	C27—H27A	0.9300
C7—O3	1.261 (8)	C28—H28A	0.9300
C8—O1	1.247 (8)	N1—H1	0.8600
C8—O2	1.263 (8)	N3—H3	0.8600
C9—O5	1.214 (9)	N4—Co1vi	2.152 (5)
C9—N1	1.358 (8)	O3—Er1vii	2.398 (5)
C9—C10	1.509 (10)	O4—Er1vii	2.379 (5)
C10—C14	1.371 (11)	O8—Er1viii	2.429 (5)
C10—C11	1.391 (10)	O9—Er1viii	2.348 (4)
C11—C12	1.362 (11)	O1W—H1WB	0.8488
C11—H11A	0.9300	O1W—H1WA	0.8469
C12—N2	1.334 (11)	O2W—H2WB	0.8474
C12—H12A	0.9300	O2W—H2WC	0.8489
C13—N2	1.349 (10)	O3W—H3WA	0.8477
C13—C14	1.370 (10)	O3W—H3WB	0.8482
C13—H13A	0.9300	O4W—H4WA	0.8494
C14—H14A	0.9300	O4W—H4WB	0.8487
C15—C20	1.387 (9)
O1i—Co1—O1	180.0	O5—C9—C10	118.5 (6)
O1i—Co1—N4ii	87.4 (2)	N1—C9—C10	117.9 (6)
O1—Co1—N4ii	92.6 (2)	C14—C10—C11	117.6 (7)
O1i—Co1—N4iii	92.6 (2)	C14—C10—C9	125.2 (6)
O1—Co1—N4iii	87.4 (2)	C11—C10—C9	117.1 (7)
N4ii—Co1—N4iii	180.000 (1)	C12—C11—C10	119.3 (7)
O1i—Co1—O1W	85.9 (2)	C12—C11—H11A	120.4
O1—Co1—O1W	94.1 (2)	C10—C11—H11A	120.4
N4ii—Co1—O1W	90.5 (2)	N2—C12—C11	124.2 (7)
N4iii—Co1—O1W	89.5 (2)	N2—C12—H12A	117.9
O1i—Co1—O1Wi	94.1 (2)	C11—C12—H12A	117.9
O1—Co1—O1Wi	85.9 (2)	N2—C13—C14	123.9 (7)
N4ii—Co1—O1Wi	89.5 (2)	N2—C13—H13A	118.1
N4iii—Co1—O1Wi	90.5 (2)	C14—C13—H13A	118.1
O1W—Co1—O1Wi	180.000 (1)	C13—C14—C10	119.3 (7)
O2—Er1—O2W	82.38 (18)	C13—C14—H14A	120.3
O2—Er1—O7	90.7 (2)	C10—C14—H14A	120.3
O2W—Er1—O7	138.81 (18)	C20—C15—C16	119.5 (6)
O2—Er1—O9iv	81.92 (18)	C20—C15—C21	122.5 (6)
O2W—Er1—O9iv	139.01 (18)	C16—C15—C21	118.0 (6)
O7—Er1—O9iv	78.93 (16)	C17—C16—C15	120.4 (6)
O2—Er1—O4v	153.92 (18)	C17—C16—H16A	119.8
O2W—Er1—O4v	121.33 (17)	C15—C16—H16A	119.8
O7—Er1—O4v	78.2 (2)	C16—C17—C18	120.4 (6)
O9iv—Er1—O4v	72.87 (16)	C16—C17—N3	119.6 (6)
O2—Er1—O3v	152.42 (18)	C18—C17—N3	120.0 (6)
O2W—Er1—O3v	71.32 (17)	C19—C18—C17	119.7 (6)
O7—Er1—O3v	103.5 (2)	C19—C18—H18A	120.1
O9iv—Er1—O3v	123.62 (17)	C17—C18—H18A	120.1
O4v—Er1—O3v	53.59 (16)	C18—C19—C20	120.6 (6)
O2—Er1—O8iv	85.79 (19)	C18—C19—C22	117.2 (6)
O2W—Er1—O8iv	87.16 (18)	C20—C19—C22	122.2 (6)
O7—Er1—O8iv	132.96 (16)	C19—C20—C15	119.3 (6)
O9iv—Er1—O8iv	54.11 (15)	C19—C20—H20A	120.4
O4v—Er1—O8iv	84.85 (19)	C15—C20—H20A	120.4
O3v—Er1—O8iv	100.68 (19)	O7—C21—O6	118.8 (6)
O2—Er1—O6	85.14 (19)	O7—C21—C15	119.9 (6)
O2W—Er1—O6	85.04 (18)	O6—C21—C15	121.3 (6)
O7—Er1—O6	53.86 (16)	O9—C22—O8	119.3 (6)
O9iv—Er1—O6	130.75 (15)	O9—C22—C19	120.0 (6)
O4v—Er1—O6	106.15 (19)	O8—C22—C19	120.8 (6)
O3v—Er1—O6	84.49 (19)	O9—C22—Er1viii	57.8 (3)
O8iv—Er1—O6	168.74 (18)	O8—C22—Er1viii	61.5 (3)
O2—Er1—C22iv	83.91 (19)	C19—C22—Er1viii	176.9 (4)
O2W—Er1—C22iv	113.99 (19)	O10—C23—N3	125.3 (6)
O7—Er1—C22iv	105.45 (18)	O10—C23—C24	118.6 (6)
O9iv—Er1—C22iv	26.61 (17)	N3—C23—C24	116.1 (6)
O4v—Er1—C22iv	76.62 (18)	C25—C24—C28	118.8 (6)
O3v—Er1—C22iv	113.96 (19)	C25—C24—C23	117.6 (6)
O8iv—Er1—C22iv	27.52 (17)	C28—C24—C23	123.5 (6)
O6—Er1—C22iv	156.44 (18)	C26—C25—C24	119.1 (7)
O2—Er1—C7v	179.27 (18)	C26—C25—H25A	120.4
O2W—Er1—C7v	96.94 (18)	C24—C25—H25A	120.4
O7—Er1—C7v	90.0 (2)	N4—C26—C25	123.0 (7)
O9iv—Er1—C7v	98.43 (17)	N4—C26—H26A	118.5
O4v—Er1—C7v	26.59 (17)	C25—C26—H26A	118.5
O3v—Er1—C7v	27.03 (17)	N4—C27—C28	123.8 (7)
O8iv—Er1—C7v	93.89 (19)	N4—C27—H27A	118.1
O6—Er1—C7v	95.10 (19)	C28—C27—H27A	118.1
C22iv—Er1—C7v	96.11 (18)	C24—C28—C27	118.0 (7)
C6—C1—C2	120.6 (6)	C24—C28—H28A	121.0
C6—C1—C8	119.0 (6)	C27—C28—H28A	121.0
C2—C1—C8	120.3 (6)	C9—N1—C3	125.4 (6)
C1—C2—C3	120.3 (6)	C9—N1—H1	117.3
C1—C2—H2A	119.9	C3—N1—H1	117.3
C3—C2—H2A	119.9	C12—N2—C13	115.7 (6)
C4—C3—N1	122.8 (6)	C23—N3—C17	120.5 (5)
C4—C3—C2	118.7 (6)	C23—N3—H3	119.7
N1—C3—C2	118.4 (6)	C17—N3—H3	119.7
C5—C4—C3	120.0 (6)	C26—N4—C27	117.2 (6)
C5—C4—H4A	120.0	C26—N4—Co1vi	120.6 (5)
C3—C4—H4A	120.0	C27—N4—Co1vi	121.8 (5)
C4—C5—C6	121.9 (6)	C8—O1—Co1	143.4 (4)
C4—C5—C7	117.8 (6)	C8—O2—Er1	154.6 (5)
C6—C5—C7	120.3 (6)	C7—O3—Er1vii	93.2 (4)
C1—C6—C5	118.4 (6)	C7—O4—Er1vii	94.6 (4)
C1—C6—H6A	120.8	C21—O6—Er1	90.8 (4)
C5—C6—H6A	120.8	C21—O7—Er1	96.5 (4)
O4—C7—O3	118.6 (6)	C22—O8—Er1viii	90.9 (4)
O4—C7—C5	120.5 (6)	C22—O9—Er1viii	95.6 (4)
O3—C7—C5	120.9 (6)	Co1—O1W—H1WB	112.7
O4—C7—Er1vii	58.9 (3)	Co1—O1W—H1WA	112.9
O3—C7—Er1vii	59.8 (3)	H1WB—O1W—H1WA	110.2
C5—C7—Er1vii	177.4 (5)	Er1—O2W—H2WB	110.5
O1—C8—O2	123.2 (6)	Er1—O2W—H2WC	111.1
O1—C8—C1	119.2 (6)	H2WB—O2W—H2WC	109.0
O2—C8—C1	117.6 (6)	H3WA—O3W—H3WB	107.4
O5—C9—N1	123.6 (6)	H4WA—O4W—H4WB	108.9
C6—C1—C2—C3	3.3 (10)	O5—C9—N1—C3	−5.1 (12)
C8—C1—C2—C3	−172.9 (6)	C10—C9—N1—C3	175.4 (6)
C1—C2—C3—C4	−4.1 (9)	C4—C3—N1—C9	19.7 (10)
C1—C2—C3—N1	177.7 (6)	C2—C3—N1—C9	−162.1 (6)
N1—C3—C4—C5	179.7 (6)	C11—C12—N2—C13	0.9 (12)
C2—C3—C4—C5	1.6 (9)	C14—C13—N2—C12	−1.2 (12)
C3—C4—C5—C6	1.8 (10)	O10—C23—N3—C17	−8.0 (11)
C3—C4—C5—C7	178.8 (6)	C24—C23—N3—C17	170.3 (6)
C2—C1—C6—C5	0.0 (9)	C16—C17—N3—C23	−131.1 (7)
C8—C1—C6—C5	176.2 (6)	C18—C17—N3—C23	47.8 (9)
C4—C5—C6—C1	−2.6 (10)	C25—C26—N4—C27	1.9 (11)
C7—C5—C6—C1	−179.5 (6)	C25—C26—N4—Co1vi	−171.1 (6)
C4—C5—C7—O4	−17.8 (9)	C28—C27—N4—C26	−3.9 (11)
C6—C5—C7—O4	159.2 (6)	C28—C27—N4—Co1vi	169.1 (6)
C4—C5—C7—O3	162.8 (6)	O2—C8—O1—Co1	120.6 (7)
C6—C5—C7—O3	−20.2 (10)	C1—C8—O1—Co1	−60.1 (10)
C6—C1—C8—O1	−26.8 (9)	N4ii—Co1—O1—C8	29.9 (8)
C2—C1—C8—O1	149.4 (6)	N4iii—Co1—O1—C8	−150.1 (8)
C6—C1—C8—O2	152.5 (6)	O1W—Co1—O1—C8	120.6 (8)
C2—C1—C8—O2	−31.2 (9)	O1Wi—Co1—O1—C8	−59.4 (8)
O5—C9—C10—C14	164.4 (8)	O1—C8—O2—Er1	−74.1 (13)
N1—C9—C10—C14	−16.0 (11)	C1—C8—O2—Er1	106.6 (10)
O5—C9—C10—C11	−12.4 (11)	O2W—Er1—O2—C8	91.1 (11)
N1—C9—C10—C11	167.2 (6)	O7—Er1—O2—C8	−129.7 (11)
C14—C10—C11—C12	−1.0 (11)	O9iv—Er1—O2—C8	−51.0 (11)
C9—C10—C11—C12	176.0 (7)	O4v—Er1—O2—C8	−65.8 (12)
C10—C11—C12—N2	0.2 (13)	O3v—Er1—O2—C8	108.5 (11)
N2—C13—C14—C10	0.4 (12)	O8iv—Er1—O2—C8	3.4 (11)
C11—C10—C14—C13	0.7 (11)	O6—Er1—O2—C8	176.7 (11)
C9—C10—C14—C13	−176.0 (7)	C22iv—Er1—O2—C8	−24.2 (11)
C20—C15—C16—C17	0.6 (10)	O4—C7—O3—Er1vii	3.6 (7)
C21—C15—C16—C17	−177.6 (6)	C5—C7—O3—Er1vii	−177.1 (5)
C15—C16—C17—C18	−2.1 (10)	O3—C7—O4—Er1vii	−3.6 (7)
C15—C16—C17—N3	176.8 (6)	C5—C7—O4—Er1vii	177.0 (5)
C16—C17—C18—C19	2.3 (10)	O7—C21—O6—Er1	2.5 (7)
N3—C17—C18—C19	−176.6 (6)	C15—C21—O6—Er1	−178.0 (6)
C17—C18—C19—C20	−1.0 (10)	O2—Er1—O6—C21	92.9 (4)
C17—C18—C19—C22	179.9 (6)	O2W—Er1—O6—C21	175.7 (4)
C18—C19—C20—C15	−0.5 (10)	O7—Er1—O6—C21	−1.5 (4)
C22—C19—C20—C15	178.6 (6)	O9iv—Er1—O6—C21	17.9 (5)
C16—C15—C20—C19	0.7 (10)	O4v—Er1—O6—C21	−63.1 (4)
C21—C15—C20—C19	178.8 (6)	O3v—Er1—O6—C21	−112.7 (4)
C20—C15—C21—O7	166.6 (6)	O8iv—Er1—O6—C21	129.4 (7)
C16—C15—C21—O7	−15.3 (10)	C22iv—Er1—O6—C21	30.4 (7)
C20—C15—C21—O6	−12.9 (10)	C7v—Er1—O6—C21	−87.8 (4)
C16—C15—C21—O6	165.2 (6)	O6—C21—O7—Er1	−2.7 (7)
C18—C19—C22—O9	4.3 (9)	C15—C21—O7—Er1	177.8 (5)
C20—C19—C22—O9	−174.8 (6)	O2—Er1—O7—C21	−82.0 (4)
C18—C19—C22—O8	−174.9 (6)	O2W—Er1—O7—C21	−2.8 (6)
C20—C19—C22—O8	6.0 (10)	O9iv—Er1—O7—C21	−163.6 (5)
O10—C23—C24—C25	41.6 (9)	O4v—Er1—O7—C21	121.8 (4)
N3—C23—C24—C25	−136.8 (7)	O3v—Er1—O7—C21	74.1 (4)
O10—C23—C24—C28	−135.7 (7)	O8iv—Er1—O7—C21	−166.9 (4)
N3—C23—C24—C28	45.9 (9)	O6—Er1—O7—C21	1.5 (4)
C28—C24—C25—C26	−1.7 (10)	C22iv—Er1—O7—C21	−165.9 (4)
C23—C24—C25—C26	−179.1 (6)	C7v—Er1—O7—C21	97.8 (4)
C24—C25—C26—N4	0.8 (11)	O9—C22—O8—Er1viii	3.2 (6)
C25—C24—C28—C27	−0.1 (10)	C19—C22—O8—Er1viii	−177.6 (5)
C23—C24—C28—C27	177.2 (6)	O8—C22—O9—Er1viii	−3.3 (7)
N4—C27—C28—C24	3.0 (11)	C19—C22—O9—Er1viii	177.4 (5)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1···O3Wiv	0.86	2.16	3.007 (8)	166.
O1W—H1WB···O4Wiii	0.85	2.05	2.769 (9)	142.
O1W—H1WA···O8ix	0.85	2.22	2.975 (8)	149.
O2W—H2WB···O4Wx	0.85	2.32	3.109 (10)	156.
O2W—H2WC···N2xi	0.85	1.94	2.687 (8)	147.
O3W—H3WA···O7viii	0.85	2.30	3.041 (8)	147.
O3W—H3WB···O9	0.85	2.30	3.042 (8)	147.
O4W—H4WA···O3vi	0.85	1.92	2.729 (8)	159.
O4W—H4WB···O6xii	0.85	1.95	2.762 (8)	159.

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1⋯O3Wi	0.86	2.16	3.007 (8)	166
O1W—H1WB⋯O4Wii	0.85	2.05	2.769 (9)	142
O1W—H1WA⋯O8iii	0.85	2.22	2.975 (8)	149
O2W—H2WB⋯O4Wiv	0.85	2.32	3.109 (10)	156
O2W—H2WC⋯N2v	0.85	1.94	2.687 (8)	147
O3W—H3WA⋯O7vi	0.85	2.30	3.041 (8)	147
O3W—H3WB⋯O9	0.85	2.30	3.042 (8)	147
O4W—H4WA⋯O3vii	0.85	1.92	2.729 (8)	159
O4W—H4WB⋯O6viii	0.85	1.95	2.762 (8)	159

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) ; (viii) .