Crystallography Open Database

Information card for entry 4086404

Preview

Coordinates	4086404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H23 Br Cl2 N4 O3 Ru
Calculated formula	C25 H23 Br Cl2 N4 O3 Ru
Title of publication	Arene Ruthenium(II) Complexes as Low-Toxicity Inhibitor against the Proliferation, Migration, and Invasion of MDA-MB-231 Cells through Binding and Stabilizing c-myc G-Quadruplex DNA
Authors of publication	Wu, Qiong; Zheng, Kangdi; Liao, Siyan; Ding, Yang; Li, Yangqiu; Mei, Wenjie
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Pages of publication	317 - 326
a	42.491 ± 0.009 Å
b	17.479 ± 0.004 Å
c	7.6315 ± 0.0015 Å
α	90°
β	90.1 ± 0.03°
γ	90°
Cell volume	5668 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0504
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1706
Weighted residual factors for all reflections included in the refinement	0.1769
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
176448 (current)	2016-02-15	cif/ Updating files of 4086404 Original log message: Separating journal page numbers, which were accidentally combined together.	4086404.cif
176447	2016-02-15	cif/ Adding structures of 4086404 via cif-deposit CGI script.	4086404.cif