Crystallography Open Database

Information card for entry 4331705

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Coordinates	4331705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 Cl3 N2 P2 Rh
Calculated formula	C34 H28 Cl3 N2 P2 Rh
SMILES	[Rh]1(Cl)(Cl)(Cl)([P](c2[n]1cccc2)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ncccc1)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	11.0841 ± 0.0008 Å
b	14.9184 ± 0.0012 Å
c	18.5128 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3061.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.0484
Weighted residual factors for all reflections included in the refinement	0.0523
Goodness-of-fit parameter for all reflections included in the refinement	0.92
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.	4331705.cif
97818	2014-01-29	cif/ Adding structures of 4331705 via cif-deposit CGI script.	4331705.cif