Crystallography Open Database

Information card for entry 4117509

Preview

Coordinates	4117509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H72 P4 Ru
Calculated formula	C42 H72 P4 Ru
SMILES	C[C@H]1CC[C@H](C)[P]21c1ccccc1[P]1([C@@H](C)CC[C@@H]1C)[RuH2]12[P]2([C@@H](C)CC[C@@H]2C)c2ccccc2[P]21[C@@H](C)CC[C@@H]2C.CCCCCC
Title of publication	Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies
Authors of publication	Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	3480 - 3497
a	10.4162 ± 0.0013 Å
b	14.9533 ± 0.0009 Å
c	26.769 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	4169.4 ± 1.8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 K
Number of distinct elements	4
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	0.049
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178946 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/75.	4117509.cif
74609	2013-03-01	cif/ Adding structures of 4117509 via cif-deposit CGI script.	4117509.cif