Crystallography Open Database

Information card for entry 8102468

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Coordinates	8102468.cif

Structure parameters

Formula	C12 H14 N4 Ni O10
Calculated formula	C12 H14 N4 Ni O10
Title of publication	Crystal structure of diaqua-bis(2-methyl-1H-imidazole-4,5-dicarboxylato-O,N)nickel, [Ni(H2O)2(C6H5N2O4)2]
Authors of publication	Hui-Liang Wen; Bo-Wen Lai; Xiao-Qin Wu; Xu-Liang Nie; Xiao-Bo Hu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	3
Pages of publication	455
a	6.7627 ± 0.0002 Å
b	13.837 ± 0.0004 Å
c	16.5247 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1546.31 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0308
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102468.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102468.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102468.cif
13207	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102468 via cif-deposit CGI script.	8102468.cif