Crystallography Open Database

Information card for entry 4067357

Preview

Coordinates	4067357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 Cl Ge P2 S2
Calculated formula	C25 H21 Cl Ge P2 S2
SMILES	[Ge]1(Cl)[S]=P(C1P(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis, Structure, and Reactivity of Group 14 Bis(thiophosphinoyl) Metal Complexes
Authors of publication	Leung, Wing-Por; Wan, Chi-Ling; Kan, Kwok-Wai; Mak, Thomas C. W.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	4
Pages of publication	814
a	16.213 ± 0.003 Å
b	8.9053 ± 0.0014 Å
c	18.961 ± 0.003 Å
α	90°
β	113.28 ± 0.003°
γ	90°
Cell volume	2514.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1579
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1833
Weighted residual factors for all reflections included in the refinement	0.2348
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
178564 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/73.	4067357.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067357.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067357.cif
34171	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067357 via cif-deposit CGI script.	4067357.cif