Crystallography Open Database

Information card for entry 4065761

Preview

Coordinates	4065761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H74 N2 O P4 Pb2 S4
Calculated formula	C42 H74 N2 O P4 Pb2 S4
SMILES	[Pb]12[n]3c(cccc3CP(=S)(C(C)C)C(C)C)C1([Pb]1[n]3c(cccc3CP(=S)(C(C)C)C(C)C)C21P(=S)(C(C)C)C(C)C)P(=S)(C(C)C)C(C)C.C1CCCO1
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	10.533 ± 0.003 Å
b	15.395 ± 0.004 Å
c	16.602 ± 0.004 Å
α	78.485 ± 0.005°
β	85.666 ± 0.005°
γ	85.908 ± 0.006°
Cell volume	2626 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0561
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	4065761.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065761.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065761.cif
33680	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065758, 4065759, 4065760, 4065761, 4065762 via cif-deposit CGI script.	4065761.cif