Crystallography Open Database

Information card for entry 7054596

Preview

Coordinates	7054596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H82 Cl4 P2 Ru
Calculated formula	C54 H82 Cl4 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	19.2677 ± 0.0013 Å
b	14.6496 ± 0.0008 Å
c	22.219 ± 0.002 Å
α	90°
β	122.706 ± 0.005°
γ	90°
Cell volume	5277.3 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1641
Weighted residual factors for all reflections included in the refinement	0.1795
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
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.	7054596.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.	7054596.cif
129031	2014-12-24	cif/ Adding structures of 7054596, 7054597, 7054598, 7054599, 7054600, 7054601, 7054602, 7054603 via cif-deposit CGI script.	7054596.cif