Crystallography Open Database

Information card for entry 4508799

Preview

Coordinates	4508799.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Cu(bib)2]Cl2-H2O
Formula	C28 H28 Br2 Cl2 Cu N8 O
Calculated formula	C28 H26 Br2 Cl2 Cu N8 O
Title of publication	Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene
Authors of publication	Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	9
Pages of publication	2092
a	8.952 ± 0.013 Å
b	9.096 ± 0.01 Å
c	10.114 ± 0.012 Å
α	81.39 ± 0.03°
β	86.47 ± 0.04°
γ	88.22 ± 0.04°
Cell volume	812.5 ± 1.8 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.276
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	0.769
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179623 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/87.	4508799.cif
96939	2014-01-29	cif/ Adding structures of 4508798, 4508799, 4508800, 4508801, 4508802, 4508803, 4508804 via cif-deposit CGI script.	4508799.cif