Crystallography Open Database

Information card for entry 4069039

Preview

Coordinates	4069039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H42 F6 N2 O5 Ru
Calculated formula	C37 H42 F6 N2 O5 Ru
Title of publication	Ru−Alkylidene Metathesis Catalysts Based on 1,3-Dimesityl-4,5,6,7-tetrahydro-1,3-diazepin-2-ylidenes: Synthesis, Structure, and Activity
Authors of publication	Kumar, P. Santhosh; Wurst, Klaus; Buchmeiser, Michael R.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	6
Pages of publication	1785
a	12.7876 ± 0.0002 Å
b	18.6602 ± 0.0005 Å
c	15.8368 ± 0.0004 Å
α	90°
β	100.799 ± 0.002°
γ	90°
Cell volume	3712.04 ± 0.15 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0823
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
178507 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/90.	4069039.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069039.cif
40101	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069039 via cif-deposit CGI script.	4069039.cif