Crystallography Open Database

Information card for entry 4084044

Preview

Coordinates	4084044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H15 Cr O2 P S
Calculated formula	C11 H15 Cr O2 P S
SMILES	[Cr]12345([S]=P1(CC)CC)([cH]1[cH]5[cH]4[cH]3[cH]21)(C#[O])C#[O]
Title of publication	An Organometallic Radical Route to Bis(phosphido)- and Hydrido−Phosphido-Bridged Metal−Metal-Bonded Complexes of Cyclopentadienylchromium via Desulfurization of Thiophosphinito Ligands
Authors of publication	Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Haiduc, Ionel
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	24
Pages of publication	5287
a	6.9897 ± 0.0001 Å
b	13.235 ± 0.0002 Å
c	14.0795 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1302.48 ± 0.04 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0873
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
178729 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/40.	4084044.cif
120645	2014-07-22	cif/ Adding structures of 4084043, 4084044, 4084045, 4084046, 4084047, 4084048 via cif-deposit CGI script.	4084044.cif