Crystallography Open Database

Information card for entry 4327316

Preview

Coordinates	4327316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H74 Cl19 P6 Rh S4
Calculated formula	C87 H71 Cl10 P6 Rh S4
SMILES	[Rh]1234(SP(=C5[P]3(C(P(=[S]1)(c1ccccc1)c1ccccc1)=C(C=C5c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)SP(=C1[P]4(C(P(=[S]2)(c2ccccc2)c2ccccc2)=C(C=C1c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1.[Cl-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Synthesis and X-ray Crystal Structure of a Cationic Homoleptic (SPS)2Rh(III) Complex and EPR Study of Its Reduction Process
Authors of publication	Marjolaine Doux; Nicolas Mézailles; Louis Ricard; Pascal Le Floch; Prashant Adkine; Théo Berclaz; Michel Geoffroy
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1147 - 1152
a	16.812 ± 0.001 Å
b	17.628 ± 0.001 Å
c	20.168 ± 0.001 Å
α	106.398 ± 0.001°
β	93.68 ± 0.001°
γ	117.576 ± 0.001°
Cell volume	4947.3 ± 0.5 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1625
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179376 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/73.	4327316.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327316.cif
61080	2012-06-21	cif/ Adding structures of 4327316 via cif-deposit CGI script.	4327316.cif