Crystallography Open Database

Information card for entry 4343957

Preview

Coordinates	4343957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H34 F6 N4 P2 Ru
Calculated formula	C41 H34 F6 N4 P2 Ru
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	17.9446 ± 0.0015 Å
b	18.7673 ± 0.0015 Å
c	24.048 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	8098.7 ± 1.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1462
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.1874
Weighted residual factors for all reflections included in the refinement	0.2101
Goodness-of-fit parameter for all reflections included in the refinement	0.907
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.	4343957.cif
152046	2015-07-15	cif/ Adding structures of 4343953, 4343954, 4343955, 4343956, 4343957 via cif-deposit CGI script.	4343957.cif