Crystallography Open Database

Information card for entry 4078771

Preview

Coordinates	4078771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H15 F35 Mo N O2
Calculated formula	C57 H15 F35 Mo N O2
Title of publication	Pentafluorophenylimido Alkylidene Complexes of Molybdenum and Tungsten
Authors of publication	Yuan, Jian; Schrock, Richard R.; Müller, Peter; Axtell, Jonathan C.; Dobereiner, Graham E.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	13
Pages of publication	4650
a	9.4821 ± 0.0008 Å
b	11.2068 ± 0.001 Å
c	25.015 ± 0.002 Å
α	78.843 ± 0.002°
β	89.461 ± 0.002°
γ	83.898 ± 0.002°
Cell volume	2593 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178676 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/87.	4078771.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078771.cif
66392	2012-09-09	cif/ Adding structures of 4078771, 4078772, 4078773 via cif-deposit CGI script.	4078771.cif