Crystallography Open Database

Information card for entry 4087736

Preview

Coordinates	4087736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H34 Cl2 O4 Ru2
Calculated formula	C32 H34 Cl2 O4 Ru2
SMILES	c12cc3c(c(c1O[Ru]14567([c]8([cH]7[cH]6[c]5([cH]4[cH]18)C)C(C)C)(Cl)O2)c1ccccc1)O[Ru]12456([c]7([cH]1[cH]2[c]4([cH]5[cH]67)C)C(C)C)(Cl)O3
Title of publication	Tunable Arene Ruthenium Metallaprisms to Transport, Shield, and Release Porphin in Cancer Cells
Authors of publication	Garci, Amine; Mbakidi, Jean-Pierre; Chaleix, Vincent; Sol, Vincent; Orhan, Ersin; Therrien, Bruno
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	16
Pages of publication	4138
a	14.6663 ± 0.0004 Å
b	11.2056 ± 0.0003 Å
c	18.1049 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2975.44 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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
236961 (current)	2019-11-24	cif/ Adding structures of 4087736 via cif-deposit CGI script.	4087736.cif