Crystallography Open Database

Information card for entry 4508800

Preview

Coordinates	4508800.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Cu(bib)2(H2O)(SO4)]-4(H2O)
Formula	C28 H36 Br2 Cu N8 O9 S
Calculated formula	C28 H26 Br2 Cu N8 O9 S
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	8.535 ± 0.005 Å
b	9.28 ± 0.004 Å
c	21.923 ± 0.009 Å
α	90°
β	94.81 ± 0.017°
γ	90°
Cell volume	1730.3 ± 1.4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
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	0.1165
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
179624 (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 4/50/88.	4508800.cif
96939	2014-01-29	cif/ Adding structures of 4508798, 4508799, 4508800, 4508801, 4508802, 4508803, 4508804 via cif-deposit CGI script.	4508800.cif