Crystallography Open Database

Information card for entry 7227225

Preview

Coordinates	7227225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 B Cl F4 N4 O Ru S0
Calculated formula	C40 H34 B Cl F4 N4 O Ru
SMILES	c1([n]2[Ru]34567([cH]8[c]3([cH]7[cH]6[c]5([cH]48)C(C)C)C)(Cl)[n]3c(c2c2n1cccc2)cccc3)c1ccc(cc1)n1c2c(c3c1cccc3)cccc2.[B](F)(F)(F)[F-].O
Title of publication	Synthesis, Structures, and DNA and Protein Binding of Ruthenium(II)-p-Cymene Complexes of Substituted Pyridylimidazo[1,5-a]pyridine: Enhanced Cytotoxicity of Complexes of Ligands Appended with Carbazole Moiety
Authors of publication	Khamrang, Themmila; Kartikeyan, Radhakrishnan; Velusamy, Marappan; Rajendiran, Venugopal; R, Dhivya; Perumalsamy, Balaji; M. A., Akbarsha; Palaniandavar, Mallayan
Journal of publication	RSC Adv.
Year of publication	2016
a	12.0308 ± 0.0005 Å
b	11.1279 ± 0.0004 Å
c	27.6398 ± 0.0009 Å
α	90°
β	102.338 ± 0.004°
γ	90°
Cell volume	3614.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.1767
Weighted residual factors for all reflections included in the refinement	0.1997
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
188834 (current)	2016-12-02	cif/ Adding structures of 7227223, 7227224, 7227225 via cif-deposit CGI script.	7227225.cif