Crystallography Open Database

Information card for entry 4322287

Preview

Coordinates	4322287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H73 Br2 Cu4 Mo2 O P4 S8
Calculated formula	C31 H58 Br2 Cu4 Mo2 O P4 S8
Title of publication	Synthesis of Bis{(2-dimethylphosphino)ethane-1-thiolato}bis(tert-butylthiolato)- molybdenum(IV) and Its Cluster-Forming Reactions with FeCl2 and CuBr
Authors of publication	Yasuhiro Arikawa; Hiroyuki Kawaguchi; Kazuo Kashiwabara; Kazuyuki Tatsumi
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	4549 - 4553
a	16.156 ± 0.008 Å
b	13.482 ± 0.003 Å
c	26.102 ± 0.009 Å
α	90 ± 0.03°
β	100.92 ± 0.03°
γ	90 ± 0.03°
Cell volume	5582 ± 4 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	8
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	0.0427
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0586
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4322287.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322287.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322287.cif
20558	2011-06-11	../uploads/cif-deposit/cod/cif Adding structures of 4322287 via cif-deposit CGI script.	4322287.cif