Crystallography Open Database

Information card for entry 4517339

Preview

Coordinates	4517339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H62 Cl2 N5 O9 P Ru
Calculated formula	C61 H62 Cl2 N5 O9 P Ru
Title of publication	Latent Ruthenium Benzylidene Phosphite Complexes for Visible-Light-Induced Olefin Metathesis
Authors of publication	Eivgi, Or; Vaisman, Anna; Nechmad, Noy B.; Baranov, Mark; Lemcoff, N. Gabriel
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	2033 - 2038
a	14.3812 ± 0.0002 Å
b	16.1503 ± 0.0002 Å
c	26.0144 ± 0.0003 Å
α	90°
β	100.411 ± 0.001°
γ	90°
Cell volume	5942.65 ± 0.13 Å³
Cell temperature	200 ± 50 K
Ambient diffraction temperature	200 ± 50 K
Number of distinct elements	7
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	0.0452
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257052 (current)	2020-10-04	cif/ Updating files of 4517338, 4517339 Original log message: Adding full bibliography for 4517338--4517339.cif.	4517339.cif
247205	2020-01-25	cif/ Adding structures of 4517339 via cif-deposit CGI script.	4517339.cif