Crystallography Open Database

Information card for entry 4031364

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Coordinates	4031364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H71 Cl2 O3 P2 Ru
Calculated formula	C45 H71 Cl2 O3 P2 Ru
Title of publication	Ruthenium indenylidene "1(st) generation" olefin metathesis catalysts containing triisopropyl phosphite.
Authors of publication	Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2015
Journal volume	11
Pages of publication	1520 - 1527
a	13.703 ± 0.002 Å
b	16.085 ± 0.003 Å
c	41.003 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	9038 ± 3 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0992
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.198
Weighted residual factors for all reflections included in the refinement	0.2295
Goodness-of-fit parameter for all reflections included in the refinement	1.27
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4031364.cif
160568	2015-10-06	cif/ Updating files of 4031363, 4031364, 4031365 Original log message: Adding full bibliography for 4031363--4031365.cif.	4031364.cif
153875	2015-09-02	cif/ Adding structures of 4031364 via cif-deposit CGI script.	4031364.cif