Crystallography Open Database

Information card for entry 2204343

2204342 << 2204343 >> 2204344

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Coordinates	2204343.cif
Structure factors	2204343.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	catena-poly[bis[cobalt(II)-2,5-bis(4-pyridyl) -1,3,4-thiadiazole](tetravanadate)(hexahydrate)]
Formula	C12 H14 Co N4 O9 S V2
Calculated formula	C12 H14 Co N4 O9 S V2
SMILES	[Co]1([OH2])([OH2])([OH2])([n]2ccc(cc2)c2sc(nn2)c2ccncc2)[O]=[V]2(=[O][Co]([OH2])([OH2])([OH2])([n]3ccc(cc3)c3sc(nn3)c3ccncc3)[O]=[V]3(=[O]1)O[V](=O)(=O)O[V](=O)(=O)O[V](=O)(=O)O3)O[V](=O)(=O)O[V](=[O][Co]([n]1ccc(cc1)c1sc(nn1)c1ccncc1)([OH2])([OH2])[OH2])(=[O][Co]([n]1ccc(cc1)c1sc(nn1)c1ccncc1)([OH2])([OH2])[OH2])O[V](=O)(=O)O2
Title of publication	<i>catena</i>-Poly[[bis[triaqua[2,5-bis(4-pyridyl)-1,3,4-thiadiazole]cobalt(II)]]-μ~4~-tetravanadato]
Authors of publication	Zhang, Xian-Ming
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	10
Pages of publication	m1411 - m1413
a	8.0562 ± 0.0018 Å
b	8.2506 ± 0.0018 Å
c	14.253 ± 0.003 Å
α	96.313 ± 0.003°
β	91.631 ± 0.003°
γ	103.402 ± 0.003°
Cell volume	914.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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