Crystallography Open Database

Information card for entry 4337824

Preview

Coordinates	4337824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H47 Cl3 F6 N4 O2 P3 Rh
Calculated formula	C54 H47 Cl3 F6 N4 O2 P3 Rh
SMILES	[Rh]12(Cl)([N](=CC(=[N]1N=C(c1ccccc1)O2)C)NC(=O)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].C(Cl)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	11.4399 ± 0.0015 Å
b	14.218 ± 0.002 Å
c	18.786 ± 0.004 Å
α	102.24 ± 0.003°
β	100.287 ± 0.003°
γ	113.189 ± 0.002°
Cell volume	2625.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
179481 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/78.	4337824.cif
107747	2014-03-22	cif/ Adding structures of 4337822, 4337823, 4337824, 4337825 via cif-deposit CGI script.	4337824.cif