Crystallography Open Database

Information card for entry 4078772

Preview

Coordinates	4078772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H6 F23 N O2 W
Calculated formula	C17 H6 F23 N O2 W
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	6.5813 ± 0.0003 Å
b	17.0135 ± 0.0008 Å
c	21.0551 ± 0.0009 Å
α	90°
β	98.086 ± 0.001°
γ	90°
Cell volume	2334.12 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0244
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0377
Weighted residual factors for all reflections included in the refinement	0.041
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
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.	4078772.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078772.cif
66392	2012-09-09	cif/ Adding structures of 4078771, 4078772, 4078773 via cif-deposit CGI script.	4078772.cif