Crystallography Open Database

Information card for entry 4084821

Preview

Coordinates	4084821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H50 Cl2 N3 P Ru
Calculated formula	C34 H50 Cl2 N3 P Ru
Title of publication	Donor-Induced Decomposition of the Grubbs Catalysts: An Intercepted Intermediate
Authors of publication	Lummiss, Justin A. M.; McClennan, William L.; McDonald, Robert; Fogg, Deryn E.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	23
Pages of publication	6738
a	17.3322 ± 0.0012 Å
b	10.9026 ± 0.0008 Å
c	17.538 ± 0.0012 Å
α	90°
β	93.0376 ± 0.0008°
γ	90°
Cell volume	3309.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0249
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
178737 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/48.	4084821.cif
131488	2015-02-08	cif/ Updating files of 4084821 Original log message: Adding full bibliography for 4084821.cif.	4084821.cif
127750	2014-11-21	cif/ Adding structures of 4084821 via cif-deposit CGI script.	4084821.cif