Crystallography Open Database

Information card for entry 4334063

Preview

Coordinates	4334063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 F6 N3 Os P
Calculated formula	C17 H18 F6 N3 Os P
SMILES	c12ccccc1C1=[N](CCN1)[Os]134562([cH]2[cH]1[cH]3[cH]4[cH]5[cH]62)[N]#CC.[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	11.7105 ± 0.0002 Å
b	9.8464 ± 0.0002 Å
c	16.34 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1884.1 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	4334063.cif
99873	2014-02-03	cif/ Adding structures of 4334063 via cif-deposit CGI script.	4334063.cif