Crystallography Open Database

Information card for entry 4343955

Preview

Coordinates	4343955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H35 F6 N4 O2 P Ru S
Calculated formula	C31 H35 F6 N4 O2 P Ru S
Title of publication	Further Insight into the Lability of MeCN Ligands of Cytotoxic Cycloruthenated Compounds: Evidence for the Antisymbiotic Effect Trans to the Carbon Atom at the Ru Center.
Authors of publication	Barbosa, Ana Soraya Lima; Werlé, Christophe; Colunga, Claudia Olivia Oliva; Rodríguez, Cecilia Franco; Toscano, Ruben Alfredo; Le Lagadec, Ronan; Pfeffer, Michel
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	15
Pages of publication	7617 - 7626
a	9.5091 ± 0.0004 Å
b	12.5594 ± 0.0005 Å
c	14.4211 ± 0.0004 Å
α	97.045 ± 0.002°
β	104.12 ± 0.002°
γ	96.5 ± 0.002°
Cell volume	1639.22 ± 0.11 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	0.0687
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.151
Weighted residual factors for all reflections included in the refinement	0.1649
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
152812 (current)	2015-08-05	cif/ Updating files of 4343953, 4343954, 4343955, 4343956, 4343957 Original log message: Adding full bibliography for 4343953--4343957.cif.	4343955.cif
152046	2015-07-15	cif/ Adding structures of 4343953, 4343954, 4343955, 4343956, 4343957 via cif-deposit CGI script.	4343955.cif