Crystallography Open Database

Information card for entry 7010183

Preview

Coordinates	7010183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H30 O2 P2 Pb S4
Calculated formula	C38 H30 O2 P2 Pb S4
SMILES	[Pb]12(SC(=S)P(=[O]1)(c1ccccc1)c1ccccc1)(SC(=S)P(=[O]2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Lead(IV) complexes with phosphinoyldithioformates, R2P(O)CS2− (R = Ph or PhCH2). Syntheses and characterization. Crystal structures of [PPh4][S2CP(O)Ph2]·0.5H2O, [PbPh2{S2CP(O)Ph2}2] and [PbPh2Cl{S2CP(O)Ph2}]
Authors of publication	Ólafsson, Sigurjón Norberg; Flensburg, Claus; Andersen, Peter
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	23
Pages of publication	4360
a	14.403 ± 0.003 Å
b	17.634 ± 0.005 Å
c	14.42 ± 0.004 Å
α	90°
β	90.03 ± 0.02°
γ	90°
Cell volume	3662.4 ± 1.6 Å³
Cell temperature	122 ± 1 K
Ambient diffraction temperature	122 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0582
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.22
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
179805 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/01.	7010183.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010183.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010183.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010183.cif