Crystallography Open Database

Information card for entry 1516820

Preview

Coordinates	1516820.cif

Structure parameters

Formula	C42 H34 N2 O5 P2 Pd S4
Calculated formula	C42 H34 N2 O5 P2 Pd S4
SMILES	[Pd]1(SC2=NS(=O)(=O)c3c2cccc3)(SC2=NS(=O)(=O)c3c2cccc3)[P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.OC
Title of publication	Thiosaccharinate binding to palladium(II) and platinum(II): Synthesis and molecular structures of sulfur-bound complexes [M(?1-tsac)2(?2-diphosphane)]
Authors of publication	Subhi A. Al-Jibori; Mohamed H.S. Al-Jibori; Graeme Hogarth
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	398
Pages of publication	117 - 123
a	10.9755 ± 0.0005 Å
b	11.1596 ± 0.0006 Å
c	18.1144 ± 0.0009 Å
α	75.397 ± 0.001°
β	77.504 ± 0.001°
γ	82.693 ± 0.001°
Cell volume	2089.95 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0425
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516820.cif
118983	2014-07-04	cif/ Adding structures of 1516820 via cif-deposit CGI script.	1516820.cif