Crystallography Open Database

Information card for entry 4337825

Preview

Coordinates	4337825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H48 Cl2 N6 O2 P2 Ru
Calculated formula	C53 H48 Cl2 N6 O2 P2 Ru
SMILES	[Ru]12(Cl)([O]=C(N[N]1=C(C=[N]2NC(=O)Nc1ccccc1)C)Nc1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Title of publication	Ruthenium, Rhodium, Osmium, and Iridium Complexes of Osazones (Osazones = Bis-Arylhydrazones of Glyoxal): Radical versus Nonradical States.
Authors of publication	Patra, Sarat Chandra; Weyhermüller, Thomas; Ghosh, Prasanta
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	5
Pages of publication	2427 - 2440
a	18.0489 ± 0.0012 Å
b	22.812 ± 0.002 Å
c	24.131 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	9935.5 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4337825.cif
107747	2014-03-22	cif/ Adding structures of 4337822, 4337823, 4337824, 4337825 via cif-deposit CGI script.	4337825.cif