Crystallography Open Database

Information card for entry 4334066

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Coordinates	4334066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H26 Cl2 F6 N5 Os P
Calculated formula	C33 H26 Cl2 F6 N5 Os P
SMILES	c1cccc2c3cccc4c5cccc[n]5[Os]56(c7c(c8cccc[n]58)cc(cc7c5cccc[n]65)C)([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	17.4514 ± 0.0007 Å
b	20.7576 ± 0.0008 Å
c	24.993 ± 0.0007 Å
α	90°
β	134.063 ± 0.002°
γ	90°
Cell volume	6505.8 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0516
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0549
Weighted residual factors for all reflections included in the refinement	0.0659
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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