Crystallography Open Database

Information card for entry 8103304

Preview

Coordinates	8103304.cif

Structure parameters

Formula	C20 H21 Br Cd N4 O2
Calculated formula	C20 H21 Br Cd N4 O2
Title of publication	Crystal structure of catena-(acetato-O,O')(bromo)[m-1,1'-(1,4-butanediyl)bis(benzimidazole)-N:N']cadmium(II), CdBr(C2H3O2)(C18H18N2)
Authors of publication	Jian-Hua Qin; Xiang-Dong Han
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	1
Pages of publication	7
a	10.253 ± 0.003 Å
b	14.323 ± 0.004 Å
c	17.137 ± 0.004 Å
α	90°
β	124.293 ± 0.012°
γ	90°
Cell volume	2079.2 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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.	8103304.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.	8103304.cif
52269	2012-04-09	../uploads/cif-deposit/cod/cif Adding structures of 8103304 via cif-deposit CGI script.	8103304.cif