Crystallography Open Database

Information card for entry 1543374

Preview

Coordinates	1543374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H40 Cl2 N2 O3 Ru
Calculated formula	C31 H40 Cl2 N2 O3 Ru
SMILES	[Ru]123456(Cl)([n]7c8ccccc8ccc7C=[N]1c1ccc(OC)cc1)[c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C.[Cl-].OC.OC
Title of publication	Structural Determinants of p53-Independence in Anticancer Ruthenium-Arene Schiff-Base Complexes.
Authors of publication	Chow, Mun Juinn; Babak, Maria V.; Wong, Daniel Yuan Qiang; Pastorin, Giorgia; Gaiddon, Christian; Ang, Wee Han
Journal of publication	Molecular pharmaceutics
Year of publication	2016
Journal volume	13
Journal issue	7
Pages of publication	2543 - 2554
a	17.548 ± 0.002 Å
b	8.8135 ± 0.0012 Å
c	20.148 ± 0.003 Å
α	90°
β	106.579 ± 0.004°
γ	90°
Cell volume	2986.5 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.18
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
184938 (current)	2016-08-05	cif/ Updating files of 1543374, 1543375 Original log message: Adding full bibliography for 1543374--1543375.cif.	1543374.cif
183187	2016-06-01	cif/ Adding structures of 1543374, 1543375 via cif-deposit CGI script.	1543374.cif