Crystallography Open Database

Information card for entry 4334062

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Coordinates	4334062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 F6 N O P Ru S
Calculated formula	C23 H28 F6 N O P Ru S
SMILES	c12ccccc1c1cccc[n]1[Ru]134562([c]2([cH]1[cH]3[c]4([cH]5[cH]62)C)C(C)C)[S](C)(C)=O.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Cancer Cell Cytotoxicity of Cyclometalated Compounds Obtained with Osmium(II) Complexes
Authors of publication	Bastien Boff; Christian Gaiddon; Michel Pfeffer
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2705 - 2715
a	8.9594 ± 0.0006 Å
b	12.4581 ± 0.0009 Å
c	44.2 ± 0.003 Å
α	90°
β	90.19 ± 0.001°
γ	90°
Cell volume	4933.4 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.1301
Goodness-of-fit parameter for all reflections included in the refinement	1.383
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4334062.cif
99872	2014-02-03	cif/ Adding structures of 4334062 via cif-deposit CGI script.	4334062.cif