Crystallography Open Database

Information card for entry 8103240

Preview

Coordinates	8103240.cif

Structure parameters

Formula	C14 H22 N4 Ni O12
Calculated formula	C14 H24 N4 Ni O13
Title of publication	Crystal structure of diaquabis(2-ethyl-1H-imidazole-4,5-dicarboxylate)nickel(II) trihydrate, [Ni(H2O)2(C7H7N2O4)2] • 3H2O
Authors of publication	Gai Zhang; Ai-Jie Ma; Peng-Peng Lei; Jing-Jing Shang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	649
a	7.1905 ± 0.0007 Å
b	8.8488 ± 0.0008 Å
c	9.3266 ± 0.0009 Å
α	66.22 ± 0.001°
β	89.155 ± 0.001°
γ	70.513 ± 0.001°
Cell volume	506.98 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	0.864
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	8103240.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.	8103240.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103240.cif
32582	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103240 via cif-deposit CGI script.	8103240.cif