Crystallography Open Database

Information card for entry 4086418

Preview

Coordinates	4086418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.5 H67 F5 Mo N2 O2
Calculated formula	C49.5 H67 F5 Mo N2 O2
Title of publication	Molybdenum and Tungsten Alkylidene and Metallacyclobutane Complexes That Contain a Dianionic Biphenolate Pincer Ligand
Authors of publication	Sues, Peter E.; John, Jeremy M.; Schrock, Richard R.; Müller, Peter
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	5
Pages of publication	758
a	10.9212 ± 0.0007 Å
b	14.2236 ± 0.0009 Å
c	16.894 ± 0.0011 Å
α	86.8869 ± 0.0015°
β	72.7558 ± 0.0014°
γ	73.8698 ± 0.0015°
Cell volume	2406.5 ± 0.3 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	0.0395
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
182514 (current)	2016-05-04	cif/ Updating files of 4086418, 4086419 Original log message: Adding full bibliography for 4086418--4086419.cif.	4086418.cif
176836	2016-02-24	cif/ Adding structures of 4086418 via cif-deposit CGI script.	4086418.cif