Crystallography Open Database

Information card for entry 4067358

Preview

Coordinates	4067358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H48 O P4 S4 Sn2
Calculated formula	C54 H48 O P4 S4 Sn2
SMILES	C12(P(=[S][Sn]1C1(P(=[S][Sn]21)(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1.O1CCCC1
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	19.962 ± 0.003 Å
b	10.1888 ± 0.0016 Å
c	25.461 ± 0.004 Å
α	90°
β	94.424 ± 0.003°
γ	90°
Cell volume	5163.1 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	4067358.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067358.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067358.cif
34172	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067358 via cif-deposit CGI script.	4067358.cif