Crystallography Open Database

Information card for entry 8102642

Preview

Coordinates	8102642.cif

Structure parameters

Formula	C22 H18 N4 O4 Zn
Calculated formula	C22 H18 N4 O4 Zn
Title of publication	Crystal structure of (bis(4-((1H-imidazol-1-yl)methyl)benzoato)zinc(II), Zn(C11H14N2O2)2
Authors of publication	Man-Sheng Chen; Yi-Fang Deng; Chun-Hua Zhang; Dai-Zhi Kuang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	151
a	13.471 ± 0.002 Å
b	17.738 ± 0.003 Å
c	8.5993 ± 0.0015 Å
α	90°
β	96.635 ± 0.003°
γ	90°
Cell volume	2041 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0743
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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.	8102642.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.	8102642.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102642.cif
13381	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102642 via cif-deposit CGI script.	8102642.cif