Crystallography Open Database

Information card for entry 4321278

Preview

Coordinates	4321278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H48 Cl N P2 Ru
Calculated formula	C25 H48 Cl N P2 Ru
SMILES	[Ru]1(Cl)([n]2ccccc2C=C1)([P](C(C)C)(C(C)C)C(C)C)[P](C(C)C)(C(C)C)C(C)C
Title of publication	Reactivity of [RuHCl(PiPr3)2]2 with Functionalized Vinyl Substrates. The H2 Ligand as a Sensitive Probe of Electronic Structure
Authors of publication	Joseph N. Coalter; William E. Streib; Kenneth G. Caulton
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	3749 - 3756
a	36.815 ± 0.003 Å
b	8.8104 ± 0.0005 Å
c	18.9973 ± 0.0012 Å
α	90°
β	115.515 ± 0.003°
γ	90°
Cell volume	5560.9 ± 0.7 Å³
Cell temperature	109 K
Ambient diffraction temperature	109 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for all reflections included in the refinement	0.0393
Goodness-of-fit parameter for all reflections included in the refinement	1.0952
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179315 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/12.	4321278.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321278.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321278.cif
18629	2011-05-03	../uploads/cif-deposit/cod/cif Adding structures of 4321278 via cif-deposit CGI script.	4321278.cif