Crystallography Open Database

Information card for entry 4330565

Preview

Coordinates	4330565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H40 Cl3 F6 N6 P2 Rh
Calculated formula	C44 H40 Cl3 F6 N6 P2 Rh
SMILES	[Rh]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(N(c3c(n4[n]1ccc4)cc(cc3)C)c1c(n3[n]2ccc3)cc(cc1)C)[n]1ccccc1.ClCCl.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand
Authors of publication	Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10572 - 10580
a	36.8996 ± 0.0006 Å
b	10.0698 ± 0.0002 Å
c	25.2397 ± 0.0005 Å
α	90°
β	111.295 ± 0.001°
γ	90°
Cell volume	8738 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179408 (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 4/33/05.	4330565.cif
80018	2013-04-06	cif/ Adding structures of 4330565 via cif-deposit CGI script.	4330565.cif