Crystallography Open Database

Information card for entry 7009078

Preview

Coordinates	7009078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H32 O2 P2 Pb S2
Calculated formula	C38 H31 O2 P2 Pb S2
SMILES	[Pb]12(Sc3c(cccc3)CP(=[O]1)(c1ccccc1)c1ccccc1)Sc1c(cccc1)CP(=[O]2)(c1ccccc1)c1ccccc1
Title of publication	Lead(II) complexes with phosphorylthiolato and thiophosphorylthiolato ligands
Authors of publication	Pérez-Lourido, Paulo; Romero, Jaime; García-Vázquez, José A.; Sousa, Antonio; Zheng, Yifan; Dilworth, Jonathan R.; Zubieta, Jon
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	5
Pages of publication	769
a	14.646 ± 0.001 Å
b	15.501 ± 0.001 Å
c	15.429 ± 0.001 Å
α	90°
β	99.583 ± 0.002°
γ	90°
Cell volume	3453.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0371
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
205752 (current)	2018-01-26	cif/7 Fixing some Z values and formulae	7009078.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7009078.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009078.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009078.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009078.cif