Crystallography Open Database

Information card for entry 7125596

Preview

Coordinates	7125596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6.5 H15.5 Cl N2 O Pt0.5 S
Calculated formula	C6.5 H15.5 Cl N2 O Pt0.5 S
Title of publication	A platinum Chugaev carbene complex as a potent anticancer agent.
Authors of publication	Alves, Georges; Morel, Laurent; El-Ghozzi, Malika; Avignant, Daniel; Legeret, Bertrand; Nauton, Lionel; Cisnetti, Federico; Gautier, Arnaud
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2011
Journal volume	47
Journal issue	27
Pages of publication	7830 - 7832
a	18.1852 ± 0.0006 Å
b	11.5308 ± 0.0004 Å
c	12.079 ± 0.0004 Å
α	90°
β	100.628 ± 0.002°
γ	90°
Cell volume	2489.39 ± 0.15 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for all reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0284
Weighted residual factors for all reflections included in the refinement	0.0268
Goodness-of-fit parameter for all reflections included in the refinement	1.0822
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
244139 (current)	2019-11-28	cif/ Adding structures of 7125596 via cif-deposit CGI script.	7125596.cif