Crystallography Open Database

Information card for entry 4334060

Preview

Coordinates	4334060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 F6 N2 O Os P
Calculated formula	C22 H23 F6 N2 O Os P
SMILES	c12ccccc1c1cccc[n]1[Os]134562([cH]2[cH]1[cH]3[cH]4[cH]5[cH]62)[N]#CC.CC(=O)C.[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	12.8418 ± 0.0004 Å
b	9.2865 ± 0.0002 Å
c	21.8939 ± 0.0006 Å
α	90°
β	116.439 ± 0.002°
γ	90°
Cell volume	2337.88 ± 0.12 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
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	0.0456
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.192
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.	4334060.cif
99870	2014-02-03	cif/ Adding structures of 4334060 via cif-deposit CGI script.	4334060.cif