Crystallography Open Database

Information card for entry 4332959

Preview

Coordinates	4332959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H45 Cu4 N15 O0 S6 W
Calculated formula	C46 H45 Cu4 N15 S6 W
Title of publication	Synthesis and Crystal Structures of Multidimensional Coordination Polymers Based on W/Cu/S Clusters with Flexible Imidazole Ligands
Authors of publication	Song, Li; Li, Jianrong; Lin, Ping; Li, Zhihua; Li, Tao; Du, Shaowu; Wu, Xintao
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	25
Pages of publication	10155 - 10161
a	12.2328 ± 0.0005 Å
b	25.3056 ± 0.0011 Å
c	17.4975 ± 0.0008 Å
α	90°
β	92.616 ± 0.002°
γ	90°
Cell volume	5410.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179432 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/29.	4332959.cif
98669	2014-01-30	cif/ Adding structures of 4332959 via cif-deposit CGI script.	4332959.cif