Crystallography Open Database

Information card for entry 4101972

4101971 << 4101972 >> 4101973

Preview

Coordinates	4101972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H47 Cl6 N2 P Ru
Calculated formula	C30.5 H47 Cl6 N2 P Ru
Title of publication	Kinetic and Thermodynamic Analysis of Processes Relevant to Initiation of Olefin Metathesis by Ruthenium Phosphonium Alkylidene Catalysts
Authors of publication	Erin M. Leitao; Edwin F. van der Eide; Patricio E. Romero; Warren, E. Piers; Robert McDonald
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	2784 - 2794
a	26.465 ± 0.005 Å
b	15.938 ± 0.003 Å
c	17.596 ± 0.003 Å
α	90°
β	100.824 ± 0.002°
γ	90°
Cell volume	7290 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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 all reflections	0.051
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178765 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/19.	4101972.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101972.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101972.cif
24791	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4101972 via cif-deposit CGI script.	4101972.cif