Crystallography Open Database

Information card for entry 4080691

Preview

Coordinates	4080691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H48 Cl0 N2 P2 Pb2 S2
Calculated formula	C39 H48 N2 P2 Pb2 S2
SMILES	[Pb]123[S]=P(C42[Pb]2([n]5c6ccccc6ccc45)[n]4c5ccccc5ccc4C32P(=[S]1)(C(C)C)C(C)C)(C(C)C)C(C)C.Cc1ccccc1
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	11.2271 ± 0.0007 Å
b	13.4898 ± 0.0008 Å
c	15.2475 ± 0.0009 Å
α	100.943 ± 0.001°
β	108.536 ± 0.001°
γ	105.108 ± 0.001°
Cell volume	2017.8 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1441
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	4080691.cif
87263	2013-07-14	cif/ Adding structures of 4080685, 4080686, 4080687, 4080688, 4080689, 4080690, 4080691, 4080692 via cif-deposit CGI script.	4080691.cif