Crystallography Open Database

Information card for entry 4080689

Preview

Coordinates	4080689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 N2 P2 S2 Sn2
Calculated formula	C32 H40 N2 P2 S2 Sn2
SMILES	[Sn]12C3(P(=S)(C(C)C)C(C)C)[Sn]([n]4c3ccc3ccccc43)C2(P(=S)(C(C)C)C(C)C)c2[n]1c1c(cc2)cccc1
Title of publication	Synthesis and Structural Characterization of Lithium, Potassium, Magnesium, and Heavier Group 14 Metal Complexes Derived from 2-Quinolyl-Linked (Thiophosphorano)methane
Authors of publication	Leung, Wing-Por; Chan, Yuk-Chi; Mak, Thomas C. W.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	9
Pages of publication	2584
a	12.7235 ± 0.0012 Å
b	24.007 ± 0.002 Å
c	22.492 ± 0.002 Å
α	90°
β	94.649 ± 0.001°
γ	90°
Cell volume	6847.6 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
178695 (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 4/08/06.	4080689.cif
87263	2013-07-14	cif/ Adding structures of 4080685, 4080686, 4080687, 4080688, 4080689, 4080690, 4080691, 4080692 via cif-deposit CGI script.	4080689.cif