Crystallography Open Database

Information card for entry 4071732

Preview

Coordinates	4071732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H36 Cl3 P Ru2
Calculated formula	C22 H36 Cl3 P Ru2
SMILES	[Ru]123456([Ru]789%10([Cl]1)(Cl)([P]2(C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)(Cl)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C
Title of publication	Novel Monophosphido-Bridged Diruthenium Complexes: Efficient Preparative Method and Catalytic Activity toward Reactions of Propargylic Alcohols with Aromatic Compounds
Authors of publication	Miyake, Yoshihiro; Endo, Satoshi; Nomaguchi, Yohei; Yuki, Masahiro; Nishibayashi, Yoshiaki
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	4017
a	8.8726 ± 0.0004 Å
b	14.5203 ± 0.0007 Å
c	19.0631 ± 0.0007 Å
α	90°
β	96.1559 ± 0.0017°
γ	90°
Cell volume	2441.79 ± 0.18 Å³
Cell temperature	173.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.1789
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4071732.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071732.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071732.cif
44004	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071732, 4071733 via cif-deposit CGI script.	4071732.cif