Crystallography Open Database

Information card for entry 4333311

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Structure parameters

Formula	C12 H12 Co2 N4 O12
Calculated formula	C12 H12 Co2 N4 O12
SMILES	C1(=O)c2ccc3C(=O)O[Co]45([n]6c(C(=O)O5)ccc5C(=O)O[Co]([n]65)([n]2[n]34)(O1)([OH2])[OH2])([OH2])[OH2]
Title of publication	Metal-coordination-directed assembly of binuclear trigonal prisms and three-dimensional hydrogen-bonded networks.
Authors of publication	Sun, Wei-Wei; Cheng, Ai-Ling; Jia, Qin-Xiang; Gao, En-Qing
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	14
Pages of publication	5471 - 5473
a	13.267 ± 0.003 Å
b	8.7549 ± 0.0018 Å
c	14.685 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1705.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0502
Goodness-of-fit parameter for all reflections included in the refinement	0.843
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4333311.cif
179436	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/33.	4333311.cif
116768	2014-06-13	cif/ Updating files of 4333310, 4333311 Original log message: Adding full bibliography for 4333310--4333311.cif.	4333311.cif
98922	2014-01-30	cif/ Adding structures of 4333311 via cif-deposit CGI script.	4333311.cif