Crystallography Open Database

Information card for entry 4331709

Preview

Coordinates	4331709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H44 Cl8 N3 P3 Ru
Calculated formula	C53 H44 Cl8 N3 P3 Ru
SMILES	[Ru]12(Cl)([P](c3ncccc3)(c3ccccc3)c3ccccc3)([P](c3[n]1cccc3)(c1ccccc1)c1ccccc1)[P](c1[n]2cccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Cl-]
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	11.781 ± 0.002 Å
b	15.449 ± 0.003 Å
c	17.961 ± 0.004 Å
α	67.72 ± 0.03°
β	85.64 ± 0.03°
γ	76.35 ± 0.03°
Cell volume	2939.2 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1223
Residual factor for significantly intense reflections	0.0883
Weighted residual factors for significantly intense reflections	0.181
Weighted residual factors for all reflections included in the refinement	0.1948
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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.	4331709.cif
97822	2014-01-29	cif/ Adding structures of 4331709 via cif-deposit CGI script.	4331709.cif