Crystallography Open Database

Information card for entry 7054597

Preview

Coordinates	7054597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H76 Cl2 P2 Ru
Calculated formula	C51 H76 Cl2 P2 Ru
Title of publication	Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols
Authors of publication	Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	3
Pages of publication	1858
a	46.1591 ± 0.0018 Å
b	46.1591 ± 0.0018 Å
c	13.9447 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	25730.9 ± 1.5 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1603
Weighted residual factors for all reflections included in the refinement	0.1812
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180099 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/45.	7054597.cif
133471	2015-03-06	cif/ Updating files of 7054596, 7054597, 7054598, 7054599, 7054600, 7054601, 7054602, 7054603 Original log message: Adding full bibliography for 7054596--7054603.cif.	7054597.cif
129031	2014-12-24	cif/ Adding structures of 7054596, 7054597, 7054598, 7054599, 7054600, 7054601, 7054602, 7054603 via cif-deposit CGI script.	7054597.cif