Crystallography Open Database

Information card for entry 4131678

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Coordinates	4131678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H81 Cl2 N4 Ru2
Calculated formula	C64 H72 Cl2 N4 Ru2
Title of publication	Decomposition of Olefin Metathesis Catalysts by Brønsted Base: Metallacyclobutane Deprotonation as a Primary Deactivating Event.
Authors of publication	Bailey, Gwendolyn A.; Lummiss, Justin A. M.; Foscato, Marco; Occhipinti, Giovanni; McDonald, Robert; Jensen, Vidar R.; Fogg, Deryn E.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	46
Pages of publication	16446 - 16449
a	11.4339 ± 0.0003 Å
b	40.051 ± 0.0011 Å
c	54.661 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	25031.4 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0825
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1688
Weighted residual factors for all reflections included in the refinement	0.1877
Goodness-of-fit parameter for all reflections included in the refinement	1.191
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
241851 (current)	2019-11-25	cif/ Adding structures of 4131678 via cif-deposit CGI script.	4131678.cif