Crystallography Open Database

Information card for entry 8103181

Preview

Coordinates	8103181.cif

Structure parameters

Chemical name	Bis[l-2-(1H-benzoimidazol-2-yl)benzoato?^2^N,O](1,10-phenanthroline)Cd(II)
Formula	C40 H26 Cd N6 O4
Calculated formula	C40 H26 Cd N6 O4
Title of publication	Crystal structure of bis[2-(1H-benzimidazol-2-yl)-benzoato-?2N,O](1,10-phenanthroline)Cd(II), Cd(C14H9N2O2)2(C12H8N2)
Authors of publication	Chun Chen; Jian-Fang Ma
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	409
a	12.2812 ± 0.0002 Å
b	12.2812 ± 0.0002 Å
c	18.774 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	2452.27 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	171
Hermann-Mauguin space group symbol	P 62
Hall space group symbol	P 62
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0559
Weighted residual factors for all reflections included in the refinement	0.0589
Goodness-of-fit parameter for all reflections included in the refinement	0.819
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
176728 (current)	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.	8103181.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103181.cif
29191	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103181 via cif-deposit CGI script.	8103181.cif