Crystallography Open Database

Information card for entry 4065759

Preview

Coordinates	4065759.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H74 N2 O P4 S4 Sn2
Calculated formula	C42 H74 N2 O P4 S4 Sn2
SMILES	c1([n]2[Sn]3C4(P(=S)(C(C)C)C(C)C)c5cccc([n]5[Sn]4C3(c2ccc1)P(C(C)C)(=S)C(C)C)CP(=S)(C(C)C)C(C)C)CP(C(C)C)(=S)C(C)C.O1CCCC1
Title of publication	Synthesis of Heavier Group 14 Metal Compounds from 2,6-Lutidylbis(phosphoranosulfide)
Authors of publication	Leung, Wing-Por; Kan, Kwok-Wai; Mak, Thomas C. W.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	8
Pages of publication	1890
a	21.031 ± 0.002 Å
b	15.0474 ± 0.0018 Å
c	16.758 ± 0.002 Å
α	90°
β	91.251 ± 0.002°
γ	90°
Cell volume	5302 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0344
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
178550 (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 4/06/57.	4065759.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065759.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065759.cif
33680	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065758, 4065759, 4065760, 4065761, 4065762 via cif-deposit CGI script.	4065759.cif