Crystallography Open Database

Information card for entry 4073586

Preview

Coordinates	4073586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H68 P2 Ru
Calculated formula	C42 H68 P2 Ru
SMILES	[Ru]12345(=Pc6c(cc(cc6C(C)(C)C)C(C)(C)C)C(C)(C)C)([P](C6CCCCC6)(C6CCCCC6)C6CCCCC6)[cH]6[cH]1[cH]2[cH]3[cH]4[cH]56
Title of publication	Ruthenium-Stabilized Low-Coordinate Phosphorus Atoms.p-Cymene Ligand as Reactivity Switch
Authors of publication	Menye-Biyogo, Richard; Delpech, Fabien; Castel, Annie; Pimienta, Véronique; Gornitzka, Heinz; Rivière, Pierre
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	20
Pages of publication	5091
a	10.385 ± 0.013 Å
b	15.164 ± 0.018 Å
c	15.641 ± 0.019 Å
α	61.91 ± 0.02°
β	73.53 ± 0.02°
γ	78.16 ± 0.02°
Cell volume	2076 ± 4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.236
Residual factor for significantly intense reflections	0.1005
Weighted residual factors for significantly intense reflections	0.2011
Weighted residual factors for all reflections included in the refinement	0.2578
Goodness-of-fit parameter for all reflections included in the refinement	0.884
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
178624 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/35.	4073586.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073586.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073586.cif
46433	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073585, 4073586, 4073587 via cif-deposit CGI script.	4073586.cif