Crystallography Open Database

Information card for entry 4112120

Preview

Coordinates	4112120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H60 P2 Ru
Calculated formula	C30 H60 P2 Ru
SMILES	C1(CCCC1)[P](C1CCCC1)(C1CCCC1)[RuH6][P](C1CCCC1)(C1CCCC1)C1CCCC1
Title of publication	Synthesis, Neutron Structure, and Reactivity of the Bis(dihydrogen) Complex RuH2(η2-H2)2(PCyp3)2 Stabilized by Two Tricyclopentylphosphines
Authors of publication	Mary Grellier; Laure Vendier; Bruno Chaudret; Alberto Albinati; Silvia Rizzato; Sax Mason; Sylviane Sabo-Etienne
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	17592 - 17593
a	14.9282 ± 0.0016 Å
b	9.458 ± 0.0007 Å
c	21.713 ± 0.002 Å
α	90°
β	105.139 ± 0.013°
γ	90°
Cell volume	2959.3 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
178892 (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 4/11/21.	4112120.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112120.cif
63741	2012-08-06	cif/ Adding structures of 4112120 via cif-deposit CGI script.	4112120.cif