Crystallography Open Database

Information card for entry 4331664

Preview

Coordinates	4331664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 Mo2 O10 S6
Calculated formula	C20 H26 Mo2 O10 S6
Title of publication	Rearrangement of Molybdocene Tetraoxotetrasulfide Cp2MoS4O4to Give [(Cp2MoS2H)2](HSO4)2: A Novel Proton-Stabilized Molybdocene Disulfide Dimer
Authors of publication	Rys, Andrzej Z.; Lebuis, Anne-Marie; Shaver, Alan
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	1
Pages of publication	341 - 344
a	6.751 ± 0.002 Å
b	9.865 ± 0.004 Å
c	11.549 ± 0.005 Å
α	109.95 ± 0.03°
β	96.11 ± 0.03°
γ	108.22 ± 0.03°
Cell volume	666.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54056 Å
Diffraction radiation type	Cukα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179419 (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 4/33/16.	4331664.cif
97787	2014-01-29	cif/ Adding structures of 4331664 via cif-deposit CGI script.	4331664.cif