Crystallography Open Database

Information card for entry 4331703

Preview

Coordinates	4331703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H34 Cl2 F6 N2 O P3 Rh
Calculated formula	C37 H34 Cl2 F6 N2 O P3 Rh
SMILES	[P](F)(F)(F)(F)(F)[F-].O=C(C)C.[P]1(c2ccccc2)([Rh]2([n]3c1cccc3)([n]1c(cccc1)[P]2(c1ccccc1)c1ccccc1)(Cl)Cl)c1ccccc1
Title of publication	Syntheses and Molecular Structure of Some Rh and Ru Complexes with the Chelating Diphenyl (2-Pyridyl)phosphine Ligand
Authors of publication	Wajda-Hermanowicz, Katarzyna; Ciunik, Zbigniew; Kochel, Andrzej
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	8
Pages of publication	3369 - 3377
a	13.2352 ± 0.0009 Å
b	11.0135 ± 0.0009 Å
c	13.1525 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1917.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0762
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
179420 (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 4/33/17.	4331703.cif
97816	2014-01-29	cif/ Adding structures of 4331703 via cif-deposit CGI script.	4331703.cif