Crystallography Open Database

Information card for entry 4069903

Preview

Coordinates	4069903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H61 Cl2 N2 P Ru
Calculated formula	C44 H61 Cl2 N2 P Ru
Title of publication	Influence ofsynandantiConfigurations of NHC Backbone on Ru-Catalyzed Olefin Metathesis
Authors of publication	Grisi, Fabia; Mariconda, Annaluisa; Costabile, Chiara; Bertolasi, Valerio; Longo, Pasquale
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	4988
a	45.8607 ± 0.0005 Å
b	9.9197 ± 0.0001 Å
c	19.7087 ± 0.0003 Å
α	90°
β	111.077 ± 0.0005°
γ	90°
Cell volume	8366.14 ± 0.18 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
178588 (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 4/06/99.	4069903.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069903.cif
40507	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069903, 4069904 via cif-deposit CGI script.	4069903.cif