Crystallography Open Database

Information card for entry 4305106

Preview

Coordinates	4305106.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H78 Br4 Cu6 Mo2 N8 S6
Calculated formula	C68 H78 Br4 Cu6 Mo2 N8 S6
Title of publication	Assembly of [(η5-C5Me5)MoS3Cu3]-Supported One-Dimensional Chains with Single, Double, Triple, and Quadruple Strands
Authors of publication	Wen-Hua Zhang; Ying-Lin Song; Zhen-Hong Wei; Ling-Ling Li; Yu-Jian Huang; Yong Zhang; Jian-Ping Lang
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5332 - 5346
a	11.288 ± 0.002 Å
b	18.141 ± 0.004 Å
c	20.997 ± 0.004 Å
α	94.63 ± 0.03°
β	100.67 ± 0.03°
γ	103.06 ± 0.03°
Cell volume	4082.2 ± 1.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.1446
Residual factor for significantly intense reflections	0.0992
Weighted residual factors for significantly intense reflections	0.2297
Weighted residual factors for all reflections included in the refinement	0.2619
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
179089 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/51.	4305106.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305106.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305106.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4305106.cif