Crystallography Open Database

Information card for entry 4334065

Preview

Coordinates	4334065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 Cl2 F6 N5 O2 Os P
Calculated formula	C34 H26 Cl2 F6 N5 O2 Os P
SMILES	c1cccc2c3cccc4c5cccc[n]5[Os]56(c7c(c8cccc[n]58)cc(cc7c5cccc[n]65)C(=O)OC)([n]12)[n]34.C(Cl)Cl.[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	9.0078 ± 0.0002 Å
b	13.9936 ± 0.0006 Å
c	14.03 ± 0.0005 Å
α	77.509 ± 0.002°
β	84.338 ± 0.002°
γ	73.697 ± 0.002°
Cell volume	1655.86 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
179443 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/40.	4334065.cif
99875	2014-02-03	cif/ Adding structures of 4334065 via cif-deposit CGI script.	4334065.cif