Poly[[tetra-aquatetrakis-[μ(3)-5-(pyridine-4-carboxamido)-isophthalato]cobalt(II)digadolinium(III)] tetra-hydrate].

In the centrosymmetric polymeric title compound, {[CoGd(2)(C(14)H(8)N(2)O(5))(4)(H(2)O)(4)]·4H(2)O}(n), the Gd(III) cation is coordinated by one water mol-ecule and four pyridine-4-carboxamido-isophthalate (L) anions in a distorted square-anti-prismatic arrangement, while the Co(II) cation, located on an inversion center, is coordinated by two pyridyl-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 Gd cations and one Co cation through two carboxyl groups and one pyridine-N atom; the other bridges two Gd cations and one Co cation through two carboxyl groups and the uncoordinated pyridine-N atom is hydrogen-bonded to the adjacent coordinated water mol-ecule. Extensive O-H⋯O and N-H⋯O hydrogen bonds are present in the crystal structure.

Related literature

For related hetero-metallic complexes, see: Chen et al. (2011 ▶); Gu & Xue (2006 ▶); Liang et al. (2000 ▶); Prasad et al. (2007 ▶); Zhao et al. (2003 ▶, 2004 ▶).

Experimental

Crystal data

[CoGd2(C14H8N2O5)4(n class="Chemical">H2O)4]·4H2O

M = 1654.45

Triclinic,

a = 10.1457 (14) Å

b = 10.8728 (15) Å

c = 13.7552 (19) Å

α = 79.123 (2)°

β = 78.844 (3)°

γ = 86.317 (2)°

V = 1461.3 (3) Å3

Z = 1

Mo Kα radiation

μ = 2.62 mm−1

T = 293 K

0.20 × 0.16 × 0.10 mm

Data collection

Bruker SMART 1000 CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.622, T max = 0.779

7307 measured reflections

5053 independent reflections

4462 reflections with I > 2σ(I)

R int = 0.045

Refinement

R[F 2 > 2σ(F 2)] = 0.031

wR(F 2) = 0.070

S = 1.00

5053 reflections

430 parameters

1 restraint

H-atom parameters constrained

Δρmax = 1.23 e Å−3

Δρmin = −0.88 e Å−3

Data collection: SMART (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536811038074/xu5327sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811038074/xu5327Isup2.hkl

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

[CoGd2(C14H8N2O5)4(H2O)4]·4H2O	Z = 1
Mr = 1654.45	F(000) = 819
Triclinic, P1	Dx = 1.880 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.1457 (14) Å	Cell parameters from 5652 reflections
b = 10.8728 (15) Å	θ = 2.7–28.2°
c = 13.7552 (19) Å	µ = 2.62 mm−1
α = 79.123 (2)°	T = 293 K
β = 78.844 (3)°	Block, pink
γ = 86.317 (2)°	0.20 × 0.16 × 0.10 mm
V = 1461.3 (3) Å3

Bruker SMART 1000 CCD area-detector diffractometer	5053 independent reflections
Radiation source: fine-focus sealed tube	4462 reflections with I > 2σ(I)
graphite	Rint = 0.045
φ and ω scans	θmax = 25.0°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −12→10
Tmin = 0.622, Tmax = 0.779	k = −12→12
7307 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)] = 0.031	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.070	H-atom parameters constrained
S = 1.00	w = 1/[σ2(Fo2) + (0.0217P)2] where P = (Fo2 + 2Fc2)/3
5053 reflections	(Δ/σ)max = 0.001
430 parameters	Δρmax = 1.23 e Å−3
1 restraint	Δρmin = −0.88 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	1.0000	0.5000	0.5000	0.0225 (2)
Gd1	0.68073 (2)	0.07754 (2)	0.702891 (17)	0.01596 (9)
C1	0.7021 (5)	0.4733 (4)	0.7262 (4)	0.0203 (11)
C2	0.6789 (5)	0.4174 (5)	0.8277 (3)	0.0204 (11)
H2	0.6736	0.3308	0.8458	0.024*
C3	0.6639 (4)	0.4907 (4)	0.9019 (3)	0.0193 (11)
C4	0.6653 (4)	0.6204 (4)	0.8743 (4)	0.0197 (11)
H4	0.6539	0.6703	0.9235	0.024*
C5	0.6838 (5)	0.6749 (4)	0.7734 (3)	0.0173 (11)
C6	0.7035 (5)	0.6027 (4)	0.6993 (4)	0.0209 (11)
H6	0.7176	0.6405	0.6317	0.025*
C7	0.6865 (5)	0.8143 (4)	0.7469 (4)	0.0193 (11)
C8	0.7333 (5)	0.3940 (5)	0.6454 (4)	0.0221 (11)
C9	0.6653 (5)	0.4830 (5)	1.0810 (4)	0.0290 (13)
C10	0.6520 (5)	0.4000 (5)	1.1831 (4)	0.0254 (12)
C11	0.6510 (5)	0.2702 (5)	1.2015 (4)	0.0302 (13)
H11	0.6536	0.2269	1.1489	0.036*
C12	0.6462 (5)	0.2065 (5)	1.2977 (4)	0.0354 (14)
H12	0.6463	0.1195	1.3083	0.042*
C13	0.6398 (6)	0.3854 (6)	1.3606 (4)	0.0395 (15)
H13	0.6347	0.4256	1.4152	0.047*
C14	0.6451 (6)	0.4584 (6)	1.2657 (4)	0.0356 (14)
H14	0.6442	0.5454	1.2574	0.043*
C15	1.0257 (5)	0.1207 (4)	0.8319 (4)	0.0196 (11)
C16	1.1577 (5)	0.1051 (4)	0.7839 (4)	0.0224 (11)
H16	1.1755	0.0884	0.7186	0.027*
C17	1.2619 (5)	0.1141 (5)	0.8325 (4)	0.0205 (11)
C18	1.2342 (5)	0.1428 (4)	0.9300 (4)	0.0219 (11)
H18	1.3043	0.1485	0.9634	0.026*
C19	1.1033 (5)	0.1625 (5)	0.9764 (4)	0.0222 (11)
C20	0.9992 (5)	0.1483 (5)	0.9280 (4)	0.0218 (11)
H20	0.9107	0.1574	0.9603	0.026*
C21	0.9089 (5)	0.1090 (4)	0.7833 (4)	0.0209 (11)
C22	1.4062 (5)	0.0983 (5)	0.7846 (4)	0.0230 (12)
C23	0.9939 (5)	0.2964 (5)	1.0919 (4)	0.0265 (12)
C24	0.9909 (5)	0.3393 (5)	1.1902 (4)	0.0257 (12)
C25	0.9824 (5)	0.2572 (5)	1.2814 (4)	0.0269 (12)
H25	0.9817	0.1711	1.2846	0.032*
C26	0.9752 (5)	0.3078 (5)	1.3671 (4)	0.0277 (13)
H26	0.9670	0.2532	1.4286	0.033*
C27	0.9848 (5)	0.5065 (5)	1.2779 (4)	0.0281 (13)
H27	0.9861	0.5923	1.2761	0.034*
C28	0.9885 (5)	0.4655 (5)	1.1898 (4)	0.0271 (12)
H28	0.9895	0.5225	1.1301	0.033*
N1	0.6472 (4)	0.4306 (4)	1.0036 (3)	0.0218 (10)
H1	0.6233	0.3539	1.0173	0.026*
N2	0.6415 (5)	0.2612 (5)	1.3771 (3)	0.0371 (12)
N3	1.0794 (4)	0.2000 (4)	1.0720 (3)	0.0239 (10)
H3	1.1204	0.1604	1.1183	0.029*
N4	0.9793 (4)	0.4299 (4)	1.3671 (3)	0.0246 (10)
O1	0.8077 (3)	0.4368 (3)	0.5644 (2)	0.0302 (9)
O2	0.6813 (4)	0.2877 (3)	0.6641 (3)	0.0322 (9)
O3	0.6714 (4)	0.8704 (3)	0.6616 (3)	0.0351 (10)
O4	0.7066 (4)	0.8773 (3)	0.8103 (3)	0.0358 (10)
O5	0.6911 (5)	0.5913 (4)	1.0738 (3)	0.0564 (13)
O6	0.9267 (3)	0.0946 (3)	0.6916 (3)	0.0312 (9)
O7	0.7925 (3)	0.1148 (3)	0.8335 (2)	0.0242 (8)
O8	1.4396 (3)	0.0994 (4)	0.6915 (3)	0.0301 (9)
O9	1.4954 (3)	0.0854 (4)	0.8378 (3)	0.0413 (11)
O10	0.9241 (4)	0.3512 (4)	1.0332 (3)	0.0392 (10)
O1W	0.9258 (4)	0.6827 (3)	0.4333 (3)	0.0329 (9)
H1WB	0.8653	0.7196	0.4704	0.039*
H1WA	0.9888	0.7243	0.3993	0.039*
O2W	0.7218 (4)	0.0952 (3)	0.5257 (3)	0.0404 (10)
H2WA	0.6782	0.0365	0.5148	0.048*
H2WB	0.6868	0.1627	0.4982	0.048*
O3W	0.3006 (4)	0.1662 (5)	0.5329 (3)	0.0747 (16)
H3WA	0.3248	0.1472	0.4746	0.090*
H3WB	0.3576	0.1389	0.5703	0.090*
O4W	0.4138 (5)	0.8385 (4)	0.9854 (3)	0.0680 (15)
H4WA	0.4328	0.9019	0.9390	0.082*
H4WB	0.4384	0.8526	1.0379	0.082*

	U11	U22	U33	U12	U13	U23
Co1	0.0265 (6)	0.0248 (6)	0.0171 (5)	−0.0039 (4)	−0.0018 (4)	−0.0071 (4)
Gd1	0.01600 (14)	0.01569 (14)	0.01703 (14)	−0.00071 (9)	−0.00433 (10)	−0.00367 (9)
C1	0.021 (3)	0.020 (3)	0.020 (3)	−0.001 (2)	−0.004 (2)	−0.002 (2)
C2	0.021 (3)	0.017 (3)	0.020 (3)	−0.002 (2)	0.001 (2)	0.000 (2)
C3	0.013 (3)	0.025 (3)	0.018 (3)	0.001 (2)	−0.001 (2)	0.001 (2)
C4	0.016 (3)	0.022 (3)	0.022 (3)	0.001 (2)	−0.006 (2)	−0.004 (2)
C5	0.015 (3)	0.015 (3)	0.020 (3)	−0.003 (2)	−0.003 (2)	−0.001 (2)
C6	0.020 (3)	0.021 (3)	0.019 (3)	−0.002 (2)	−0.002 (2)	−0.001 (2)
C7	0.017 (3)	0.019 (3)	0.023 (3)	0.001 (2)	−0.006 (2)	−0.006 (2)
C8	0.021 (3)	0.020 (3)	0.025 (3)	0.003 (2)	−0.009 (2)	−0.002 (2)
C9	0.028 (3)	0.033 (3)	0.025 (3)	−0.002 (3)	−0.002 (2)	−0.002 (2)
C10	0.018 (3)	0.033 (3)	0.024 (3)	−0.002 (2)	−0.005 (2)	−0.001 (2)
C11	0.036 (3)	0.030 (3)	0.026 (3)	−0.006 (3)	−0.009 (3)	−0.001 (2)
C12	0.039 (4)	0.032 (3)	0.034 (3)	−0.011 (3)	−0.011 (3)	0.004 (3)
C13	0.047 (4)	0.054 (4)	0.020 (3)	0.004 (3)	−0.009 (3)	−0.012 (3)
C14	0.040 (4)	0.037 (4)	0.030 (3)	−0.002 (3)	−0.009 (3)	−0.004 (3)
C15	0.017 (3)	0.021 (3)	0.022 (3)	0.002 (2)	−0.006 (2)	−0.005 (2)
C16	0.024 (3)	0.026 (3)	0.017 (3)	0.001 (2)	−0.004 (2)	−0.006 (2)
C17	0.014 (3)	0.027 (3)	0.021 (3)	0.000 (2)	−0.005 (2)	−0.003 (2)
C18	0.018 (3)	0.025 (3)	0.026 (3)	−0.002 (2)	−0.010 (2)	−0.008 (2)
C19	0.021 (3)	0.026 (3)	0.022 (3)	−0.001 (2)	−0.003 (2)	−0.011 (2)
C20	0.017 (3)	0.026 (3)	0.024 (3)	0.001 (2)	−0.003 (2)	−0.010 (2)
C21	0.023 (3)	0.018 (3)	0.024 (3)	−0.001 (2)	−0.007 (2)	−0.007 (2)
C22	0.024 (3)	0.020 (3)	0.026 (3)	0.000 (2)	−0.005 (2)	−0.004 (2)
C23	0.021 (3)	0.035 (3)	0.026 (3)	−0.004 (2)	−0.003 (2)	−0.013 (3)
C24	0.016 (3)	0.042 (4)	0.022 (3)	0.000 (2)	−0.004 (2)	−0.011 (2)
C25	0.026 (3)	0.034 (3)	0.024 (3)	−0.001 (2)	−0.006 (2)	−0.012 (2)
C26	0.029 (3)	0.032 (3)	0.021 (3)	−0.009 (2)	−0.003 (2)	−0.002 (2)
C27	0.029 (3)	0.027 (3)	0.028 (3)	−0.003 (2)	−0.002 (3)	−0.007 (2)
C28	0.031 (3)	0.033 (3)	0.018 (3)	0.001 (2)	−0.005 (2)	−0.006 (2)
N1	0.025 (2)	0.018 (2)	0.019 (2)	−0.0009 (18)	−0.0032 (19)	0.0015 (18)
N2	0.043 (3)	0.042 (3)	0.026 (3)	−0.009 (2)	−0.010 (2)	0.003 (2)
N3	0.022 (2)	0.033 (3)	0.017 (2)	0.0036 (19)	−0.0085 (19)	−0.0049 (19)
N4	0.021 (2)	0.035 (3)	0.020 (2)	−0.004 (2)	−0.0025 (19)	−0.010 (2)
O1	0.030 (2)	0.039 (2)	0.021 (2)	−0.0097 (18)	0.0009 (17)	−0.0097 (17)
O2	0.048 (2)	0.016 (2)	0.033 (2)	−0.0053 (17)	−0.0041 (19)	−0.0062 (16)
O3	0.070 (3)	0.016 (2)	0.022 (2)	−0.0008 (18)	−0.015 (2)	−0.0015 (15)
O4	0.068 (3)	0.018 (2)	0.030 (2)	0.0048 (18)	−0.028 (2)	−0.0074 (16)
O5	0.113 (4)	0.028 (3)	0.034 (2)	−0.024 (3)	−0.023 (3)	−0.0009 (19)
O6	0.021 (2)	0.052 (3)	0.026 (2)	−0.0032 (17)	−0.0058 (17)	−0.0170 (18)
O7	0.0140 (19)	0.036 (2)	0.026 (2)	−0.0013 (15)	−0.0043 (16)	−0.0138 (16)
O8	0.0164 (19)	0.054 (3)	0.024 (2)	0.0013 (17)	−0.0044 (16)	−0.0168 (18)
O9	0.015 (2)	0.087 (3)	0.022 (2)	0.005 (2)	−0.0068 (17)	−0.010 (2)
O10	0.039 (2)	0.054 (3)	0.032 (2)	0.021 (2)	−0.016 (2)	−0.023 (2)
O1W	0.036 (2)	0.034 (2)	0.026 (2)	0.0018 (17)	0.0009 (17)	−0.0072 (17)
O2W	0.066 (3)	0.031 (2)	0.024 (2)	−0.005 (2)	−0.013 (2)	0.0016 (17)
O3W	0.060 (3)	0.132 (5)	0.031 (3)	0.028 (3)	−0.015 (2)	−0.014 (3)
O4W	0.139 (5)	0.037 (3)	0.030 (2)	−0.031 (3)	−0.015 (3)	−0.003 (2)

Co1—O1i	2.083 (3)	C15—C16	1.389 (6)
Co1—O1	2.083 (3)	C15—C21	1.492 (6)
Co1—O1W	2.178 (4)	C16—C17	1.374 (6)
Co1—O1Wi	2.178 (4)	C16—H16	0.9300
Co1—N4ii	2.159 (4)	C17—C18	1.406 (6)
Co1—N4iii	2.159 (4)	C17—C22	1.498 (7)
Gd1—O2	2.246 (3)	C18—C19	1.380 (6)
Gd1—O2W	2.365 (3)	C18—H18	0.9300
Gd1—O3iv	2.436 (3)	C19—C20	1.384 (7)
Gd1—O4iv	2.420 (3)	C19—N3	1.421 (6)
Gd1—O6	2.487 (3)	C20—H20	0.9300
Gd1—O7	2.408 (3)	C21—O7	1.252 (5)
Gd1—O8v	2.475 (3)	C21—O6	1.277 (5)
Gd1—O9v	2.382 (3)	C22—O9	1.256 (6)
C1—C6	1.386 (6)	C22—O8	1.257 (6)
C1—C2	1.395 (6)	C23—O10	1.223 (6)
C1—C8	1.505 (7)	C23—N3	1.352 (6)
C2—C3	1.389 (7)	C23—C24	1.506 (7)
C2—H2	0.9300	C24—C28	1.369 (7)
C3—C4	1.390 (6)	C24—C25	1.387 (7)
C3—N1	1.410 (6)	C25—C26	1.380 (7)
C4—C5	1.385 (6)	C25—H25	0.9300
C4—H4	0.9300	C26—N4	1.331 (6)
C5—C6	1.378 (7)	C26—H26	0.9300
C5—C7	1.491 (6)	C27—N4	1.340 (6)
C6—H6	0.9300	C27—C28	1.361 (7)
C7—O3	1.250 (6)	C27—H27	0.9300
C7—O4	1.257 (5)	C28—H28	0.9300
C8—O1	1.246 (5)	N1—H1	0.8600
C8—O2	1.263 (6)	N3—H3	0.8600
C9—O5	1.204 (6)	N4—Co1vi	2.159 (4)
C9—N1	1.345 (6)	O3—Gd1vii	2.436 (3)
C9—C10	1.507 (7)	O4—Gd1vii	2.420 (3)
C10—C11	1.387 (7)	O8—Gd1viii	2.475 (3)
C10—C14	1.390 (7)	O9—Gd1viii	2.382 (3)
C11—C12	1.365 (7)	O1W—H1WB	0.8501
C11—H11	0.9300	O1W—H1WA	0.8200
C12—N2	1.331 (7)	O2W—H2WA	0.8500
C12—H12	0.9300	O2W—H2WB	0.8499
C13—N2	1.326 (7)	O3W—H3WA	0.8515
C13—C14	1.387 (7)	O3W—H3WB	0.8500
C13—H13	0.9300	O4W—H4WA	0.8501
C14—H14	0.9300	O4W—H4WB	0.8501
C15—C20	1.382 (6)
O1i—Co1—O1	180.00 (19)	O5—C9—C10	118.3 (5)
O1i—Co1—N4ii	87.68 (14)	N1—C9—C10	117.4 (5)
O1—Co1—N4ii	92.32 (14)	C11—C10—C14	117.2 (5)
O1i—Co1—N4iii	92.32 (14)	C11—C10—C9	125.6 (5)
O1—Co1—N4iii	87.68 (14)	C14—C10—C9	117.2 (5)
N4ii—Co1—N4iii	180.000 (1)	C12—C11—C10	119.3 (5)
O1i—Co1—O1W	86.75 (14)	C12—C11—H11	120.3
O1—Co1—O1W	93.25 (14)	C10—C11—H11	120.3
N4ii—Co1—O1W	90.98 (15)	N2—C12—C11	124.1 (5)
N4iii—Co1—O1W	89.02 (15)	N2—C12—H12	117.9
O1i—Co1—O1Wi	93.25 (14)	C11—C12—H12	117.9
O1—Co1—O1Wi	86.75 (14)	N2—C13—C14	123.2 (5)
N4ii—Co1—O1Wi	89.02 (15)	N2—C13—H13	118.4
N4iii—Co1—O1Wi	90.98 (15)	C14—C13—H13	118.4
O1W—Co1—O1Wi	180.000 (1)	C13—C14—C10	119.2 (6)
O2—Gd1—O2W	82.58 (12)	C13—C14—H14	120.4
O2—Gd1—O9v	91.01 (14)	C10—C14—H14	120.4
O2W—Gd1—O9v	138.94 (13)	C20—C15—C16	119.9 (4)
O2—Gd1—O7	81.95 (12)	C20—C15—C21	117.8 (4)
O2W—Gd1—O7	139.26 (12)	C16—C15—C21	122.2 (4)
O9v—Gd1—O7	78.76 (11)	C17—C16—C15	120.2 (4)
O2—Gd1—O4iv	154.21 (12)	C17—C16—H16	119.9
O2W—Gd1—O4iv	120.60 (12)	C15—C16—H16	119.9
O9v—Gd1—O4iv	78.54 (13)	C16—C17—C18	119.5 (4)
O7—Gd1—O4iv	72.97 (12)	C16—C17—C22	122.6 (4)
O2—Gd1—O3iv	152.78 (12)	C18—C17—C22	117.9 (4)
O2W—Gd1—O3iv	71.09 (12)	C19—C18—C17	120.3 (4)
O9v—Gd1—O3iv	104.19 (13)	C19—C18—H18	119.9
O7—Gd1—O3iv	122.72 (12)	C17—C18—H18	119.9
O4iv—Gd1—O3iv	52.79 (11)	C18—C19—C20	119.4 (4)
O2—Gd1—O8v	85.71 (13)	C18—C19—N3	118.8 (4)
O2W—Gd1—O8v	85.98 (12)	C20—C19—N3	121.8 (4)
O9v—Gd1—O8v	53.03 (11)	C15—C20—C19	120.6 (4)
O7—Gd1—O8v	129.89 (11)	C15—C20—H20	119.7
O4iv—Gd1—O8v	105.71 (13)	C19—C20—H20	119.7
O3iv—Gd1—O8v	85.72 (13)	O7—C21—O6	120.2 (4)
O2—Gd1—O6	84.41 (13)	O7—C21—C15	119.0 (4)
O2W—Gd1—O6	87.95 (12)	O6—C21—C15	120.8 (4)
O9v—Gd1—O6	131.92 (11)	O9—C22—O8	119.4 (5)
O7—Gd1—O6	53.19 (11)	O9—C22—C17	119.6 (4)
O4iv—Gd1—O6	85.28 (13)	O8—C22—C17	121.0 (5)
O3iv—Gd1—O6	100.97 (13)	O9—C22—Gd1viii	57.6 (3)
O8v—Gd1—O6	169.00 (12)	O8—C22—Gd1viii	61.8 (3)
O2—Gd1—C22v	87.78 (13)	C17—C22—Gd1viii	176.5 (3)
O2W—Gd1—C22v	112.54 (14)	O10—C23—N3	123.3 (5)
O9v—Gd1—C22v	26.43 (13)	O10—C23—C24	119.8 (5)
O7—Gd1—C22v	104.25 (13)	N3—C23—C24	116.9 (5)
O4iv—Gd1—C22v	92.60 (14)	C28—C24—C25	118.8 (5)
O3iv—Gd1—C22v	95.88 (14)	C28—C24—C23	118.2 (5)
O8v—Gd1—C22v	26.61 (12)	C25—C24—C23	122.9 (5)
O6—Gd1—C22v	156.94 (13)	C24—C25—C26	117.7 (5)
O2—Gd1—C7iv	178.34 (13)	C24—C25—H25	121.2
O2W—Gd1—C7iv	96.19 (13)	C26—C25—H25	121.2
O9v—Gd1—C7iv	90.65 (14)	N4—C26—C25	124.0 (5)
O7—Gd1—C7iv	98.34 (13)	N4—C26—H26	118.0
O4iv—Gd1—C7iv	26.48 (12)	C25—C26—H26	118.0
O3iv—Gd1—C7iv	26.34 (12)	N4—C27—C28	123.6 (5)
O8v—Gd1—C7iv	95.32 (13)	N4—C27—H27	118.2
O6—Gd1—C7iv	94.44 (13)	C28—C27—H27	118.2
C22v—Gd1—C7iv	93.72 (14)	C27—C28—C24	119.2 (5)
C6—C1—C2	119.9 (4)	C27—C28—H28	120.4
C6—C1—C8	119.6 (4)	C24—C28—H28	120.4
C2—C1—C8	120.5 (4)	C9—N1—C3	125.7 (4)
C3—C2—C1	120.2 (5)	C9—N1—H1	117.2
C3—C2—H2	119.9	C3—N1—H1	117.2
C1—C2—H2	119.9	C12—N2—C13	117.0 (5)
C2—C3—C4	119.5 (4)	C23—N3—C19	121.6 (4)
C2—C3—N1	118.7 (4)	C23—N3—H3	119.2
C4—C3—N1	121.8 (4)	C19—N3—H3	119.2
C5—C4—C3	119.7 (4)	C26—N4—C27	116.6 (4)
C5—C4—H4	120.2	C26—N4—Co1vi	121.8 (3)
C3—C4—H4	120.2	C27—N4—Co1vi	121.3 (3)
C6—C5—C4	121.2 (4)	C8—O1—Co1	144.0 (3)
C6—C5—C7	120.8 (4)	C8—O2—Gd1	155.3 (3)
C4—C5—C7	118.0 (4)	C7—O3—Gd1vii	93.8 (3)
C5—C6—C1	119.5 (5)	C7—O4—Gd1vii	94.4 (3)
C5—C6—H6	120.3	C21—O6—Gd1	91.1 (3)
C1—C6—H6	120.3	C21—O7—Gd1	95.4 (3)
O3—C7—O4	118.8 (4)	C22—O8—Gd1viii	91.5 (3)
O3—C7—C5	121.0 (4)	C22—O9—Gd1viii	96.0 (3)
O4—C7—C5	120.1 (4)	Co1—O1W—H1WB	117.3
O3—C7—Gd1vii	59.9 (2)	Co1—O1W—H1WA	109.9
O4—C7—Gd1vii	59.1 (3)	H1WB—O1W—H1WA	117.8
C5—C7—Gd1vii	177.5 (3)	Gd1—O2W—H2WA	105.0
O1—C8—O2	123.9 (5)	Gd1—O2W—H2WB	110.8
O1—C8—C1	118.6 (4)	H2WA—O2W—H2WB	105.6
O2—C8—C1	117.5 (4)	H3WA—O3W—H3WB	111.2
O5—C9—N1	124.3 (5)	H4WA—O4W—H4WB	107.9
C6—C1—C2—C3	−3.2 (7)	O5—C9—N1—C3	4.4 (9)
C8—C1—C2—C3	173.3 (4)	C10—C9—N1—C3	−175.7 (4)
C1—C2—C3—C4	3.2 (7)	C2—C3—N1—C9	162.1 (5)
C1—C2—C3—N1	−176.9 (4)	C4—C3—N1—C9	−18.1 (7)
C2—C3—C4—C5	−1.0 (7)	C11—C12—N2—C13	0.8 (9)
N1—C3—C4—C5	179.2 (4)	C14—C13—N2—C12	−1.2 (9)
C3—C4—C5—C6	−1.3 (7)	O10—C23—N3—C19	5.8 (8)
C3—C4—C5—C7	−179.2 (4)	C24—C23—N3—C19	−171.8 (4)
C4—C5—C6—C1	1.3 (7)	C18—C19—N3—C23	132.4 (5)
C7—C5—C6—C1	179.2 (4)	C20—C19—N3—C23	−45.9 (7)
C2—C1—C6—C5	0.9 (7)	C25—C26—N4—C27	3.1 (7)
C8—C1—C6—C5	−175.7 (4)	C25—C26—N4—Co1vi	−169.8 (4)
C6—C5—C7—O3	18.9 (7)	C28—C27—N4—C26	−1.1 (8)
C4—C5—C7—O3	−163.2 (5)	C28—C27—N4—Co1vi	171.8 (4)
C6—C5—C7—O4	−159.9 (5)	O2—C8—O1—Co1	−118.9 (5)
C4—C5—C7—O4	18.0 (7)	C1—C8—O1—Co1	61.6 (7)
C6—C1—C8—O1	27.7 (7)	N4ii—Co1—O1—C8	−31.5 (6)
C2—C1—C8—O1	−148.9 (5)	N4iii—Co1—O1—C8	148.5 (6)
C6—C1—C8—O2	−151.9 (5)	O1W—Co1—O1—C8	−122.6 (6)
C2—C1—C8—O2	31.5 (7)	O1Wi—Co1—O1—C8	57.4 (6)
O5—C9—C10—C11	−165.6 (5)	O1—C8—O2—Gd1	75.0 (10)
N1—C9—C10—C11	14.5 (8)	C1—C8—O2—Gd1	−105.4 (8)
O5—C9—C10—C14	11.8 (8)	O2W—Gd1—O2—C8	−92.6 (8)
N1—C9—C10—C14	−168.1 (5)	O9v—Gd1—O2—C8	128.1 (8)
C14—C10—C11—C12	−1.3 (8)	O7—Gd1—O2—C8	49.6 (8)
C9—C10—C11—C12	176.1 (5)	O4iv—Gd1—O2—C8	62.9 (9)
C10—C11—C12—N2	0.4 (9)	O3iv—Gd1—O2—C8	−107.1 (8)
N2—C13—C14—C10	0.4 (9)	O8v—Gd1—O2—C8	−179.1 (8)
C11—C10—C14—C13	0.9 (8)	O6—Gd1—O2—C8	−4.0 (8)
C9—C10—C14—C13	−176.7 (5)	C22v—Gd1—O2—C8	154.3 (8)
C20—C15—C16—C17	1.5 (7)	O4—C7—O3—Gd1vii	−4.0 (5)
C21—C15—C16—C17	−178.6 (5)	C5—C7—O3—Gd1vii	177.2 (4)
C15—C16—C17—C18	−1.8 (7)	O3—C7—O4—Gd1vii	4.0 (5)
C15—C16—C17—C22	−179.9 (4)	C5—C7—O4—Gd1vii	−177.2 (4)
C16—C17—C18—C19	−0.4 (7)	O7—C21—O6—Gd1	−3.4 (5)
C22—C17—C18—C19	177.8 (4)	C15—C21—O6—Gd1	177.4 (4)
C17—C18—C19—C20	2.8 (7)	O2—Gd1—O6—C21	86.0 (3)
C17—C18—C19—N3	−175.6 (4)	O2W—Gd1—O6—C21	168.7 (3)
C16—C15—C20—C19	1.0 (7)	O9v—Gd1—O6—C21	−0.3 (4)
C21—C15—C20—C19	−178.9 (5)	O7—Gd1—O6—C21	1.9 (3)
C18—C19—C20—C15	−3.2 (8)	O4iv—Gd1—O6—C21	−70.3 (3)
N3—C19—C20—C15	175.2 (4)	O3iv—Gd1—O6—C21	−121.0 (3)
C20—C15—C21—O7	−5.5 (7)	O8v—Gd1—O6—C21	112.2 (6)
C16—C15—C21—O7	174.6 (4)	C22v—Gd1—O6—C21	15.2 (5)
C20—C15—C21—O6	173.8 (4)	C7iv—Gd1—O6—C21	−95.2 (3)
C16—C15—C21—O6	−6.1 (7)	O6—C21—O7—Gd1	3.5 (5)
C16—C17—C22—O9	−167.4 (5)	C15—C21—O7—Gd1	−177.2 (4)
C18—C17—C22—O9	14.5 (7)	O2—Gd1—O7—C21	−91.0 (3)
C16—C17—C22—O8	13.5 (7)	O2W—Gd1—O7—C21	−22.3 (4)
C18—C17—C22—O8	−164.7 (5)	O9v—Gd1—O7—C21	176.4 (3)
O10—C23—C24—C28	−41.3 (7)	O4iv—Gd1—O7—C21	95.1 (3)
N3—C23—C24—C28	136.4 (5)	O3iv—Gd1—O7—C21	76.6 (3)
O10—C23—C24—C25	134.8 (6)	O8v—Gd1—O7—C21	−168.4 (3)
N3—C23—C24—C25	−47.5 (7)	O6—Gd1—O7—C21	−1.9 (3)
C28—C24—C25—C26	−1.5 (7)	C22v—Gd1—O7—C21	−176.6 (3)
C23—C24—C25—C26	−177.5 (5)	C7iv—Gd1—O7—C21	87.4 (3)
C24—C25—C26—N4	−1.8 (8)	O9—C22—O8—Gd1viii	−1.6 (5)
N4—C27—C28—C24	−2.0 (8)	C17—C22—O8—Gd1viii	177.6 (4)
C25—C24—C28—C27	3.3 (8)	O8—C22—O9—Gd1viii	1.6 (5)
C23—C24—C28—C27	179.5 (5)	C17—C22—O9—Gd1viii	−177.5 (4)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1···O4Wix	0.86	2.16	2.999 (6)	166
N3—H3···O4ii	0.86	2.15	2.942 (6)	152
O1W—H1WA···O6i	0.82	2.25	2.992 (5)	151
O1W—H1WB···O3Wx	0.85	2.03	2.753 (6)	143
O2W—H2WA···O3Wxi	0.85	2.40	3.130 (6)	144
O2W—H2WB···N2iii	0.85	1.92	2.676 (6)	147
O3W—H3WA···O3x	0.85	1.91	2.737 (6)	163
O3W—H3WB···O8v	0.85	1.97	2.781 (6)	160
O4W—H4WA···O9xii	0.85	2.26	3.097 (6)	170
O4W—H4WB···O9ii	0.85	2.18	3.028 (6)	172

Table 1

Selected bond lengths (Å)

Co1—O1	2.083 (3)
Co1—O1W	2.178 (4)
Co1—N4i	2.159 (4)
Gd1—O2	2.246 (3)
Gd1—O2W	2.365 (3)
Gd1—O3ii	2.436 (3)
Gd1—O4ii	2.420 (3)
Gd1—O6	2.487 (3)
Gd1—O7	2.408 (3)
Gd1—O8iii	2.475 (3)
Gd1—O9iii	2.382 (3)

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

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1⋯O4Wiv	0.86	2.16	2.999 (6)	166
N3—H3⋯O4v	0.86	2.15	2.942 (6)	152
O1W—H1WA⋯O6vi	0.82	2.25	2.992 (5)	151
O1W—H1WB⋯O3Wvii	0.85	2.03	2.753 (6)	143
O2W—H2WA⋯O3Wviii	0.85	2.40	3.130 (6)	144
O2W—H2WB⋯N2i	0.85	1.92	2.676 (6)	147
O3W—H3WA⋯O3vii	0.85	1.91	2.737 (6)	163
O3W—H3WB⋯O8iii	0.85	1.97	2.781 (6)	160
O4W—H4WA⋯O9ix	0.85	2.26	3.097 (6)	170
O4W—H4WB⋯O9v	0.85	2.18	3.028 (6)	172

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