Crystallography Open Database

Information card for entry 4347582

Preview

Coordinates	4347582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 H86 Cl8 F12 N10 O P4 Ru2
Calculated formula	C107 H86 Cl8 F12 N10 O P4 Ru2
Title of publication	CF3 Derivatives of the Anticancer Ru(III) Complexes KP1019, NKP-1339, and Their Imidazole and Pyridine Analogues Show Enhanced Lipophilicity, Albumin Interactions, and Cytotoxicity.
Authors of publication	Chang, Stephanie W.; Lewis, Andrew R.; Prosser, Kathleen E.; Thompson, John R.; Gladkikh, Margarita; Bally, Marcel B.; Warren, Jeffrey J.; Walsby, Charles J.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	10
Pages of publication	4850 - 4863
a	13.9152 ± 0.0006 Å
b	14.757 ± 0.0006 Å
c	15.9237 ± 0.0006 Å
α	116.342 ± 0.001°
β	94.334 ± 0.001°
γ	105.274 ± 0.001°
Cell volume	2755.9 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0858
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1363
Weighted residual factors for all reflections included in the refinement	0.163
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
232387 (current)	2019-11-23	cif/ Adding structures of 4347580, 4347581, 4347582 via cif-deposit CGI script.	4347582.cif