Crystallography Open Database

Information card for entry 4328650

Preview

Coordinates	4328650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H29 Cl2 N4 O P Ru
Calculated formula	C28 H29 Cl2 N4 O P Ru
SMILES	[Ru]12345(Cl)(Cl)([P]67CN8CN(C6)CN(C7)C8)[c]6([cH]1[cH]2[cH]3[cH]4[cH]56)CNC(=O)c1c2ccccc2cc2ccccc12
Title of publication	Anthracene-Tethered Ruthenium(II) Arene Complexes as Tools To Visualize the Cellular Localization of Putative Organometallic Anticancer Compounds
Authors of publication	Alexey A. Nazarov; Julie Risse; Wee Han Ang; Frederic Schmitt; Olivier Zava; Albert Ruggi; Michael Groessl; Rosario Scopelitti; Lucienne Juillerat-Jeanneret; Christian G. Hartinger; Paul J. Dyson
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3633 - 3639
a	17.1875 ± 0.0004 Å
b	12.9255 ± 0.0003 Å
c	13.732 ± 0.0004 Å
α	90°
β	93.548 ± 0.002°
γ	90°
Cell volume	3044.81 ± 0.13 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	7
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	0.0512
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
179389 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/86.	4328650.cif
77644	2013-03-29	cif/ Adding structures of 4328650 via cif-deposit CGI script.	4328650.cif