Crystallography Open Database

Information card for entry 4109183

Preview

Coordinates	4109183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 F6 N6 O3 Os P
Calculated formula	C23 H27 F6 N6 O3 Os P
SMILES	[Os]123456([c]7([cH]1[cH]2[c]3([cH]4[cH]57)C(C)C)C)([n]1ccccc1C(=O)O6)[n]1cn(c2c1c(=O)[nH]c(n2)N)CC.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Tuning the Hydrolytic Aqueous Chemistry of Osmium Arene Complexes with N,O-Chelating Ligands to Achieve Cancer Cell Cytotoxicity
Authors of publication	Anna F. A. Peacock; Simon Parsons; Peter J. Sadler
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3348 - 3357
a	19.0626 ± 0.0003 Å
b	8.4908 ± 0.0001 Å
c	16.3786 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2650.99 ± 0.07 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
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	0.0433
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for all reflections	0.0805
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for all reflections included in the refinement	0.7572
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109183.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109183.cif
57938	2012-05-23	cif/ Adding structures of 4109183 via cif-deposit CGI script.	4109183.cif