Crystallography Open Database

Information card for entry 4089153

Preview

Coordinates	4089153.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ru-4k
Formula	C43 H63 N2 O3 P Ru S2 Si3
Calculated formula	C43 H63 N2 O3 P Ru S2 Si3
Title of publication	Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation
Authors of publication	Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	22
Pages of publication	3878
a	11.0888 ± 0.0005 Å
b	11.5129 ± 0.0005 Å
c	19.4587 ± 0.0008 Å
α	85.206 ± 0.001°
β	83.385 ± 0.001°
γ	81.809 ± 0.001°
Cell volume	2436.76 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0268
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
238010 (current)	2019-11-24	cif/ Adding structures of 4089147, 4089148, 4089149, 4089150, 4089151, 4089152, 4089153, 4089154, 4089155, 4089156, 4089157, 4089158, 4089159, 4089160, 4089161, 4089162 via cif-deposit CGI script.	4089153.cif