Crystallography Open Database

Information card for entry 4087832

Preview

Coordinates	4087832.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H45 F6 N O2 W
Calculated formula	C33 H45 F6 N O2 W
SMILES	C(C(C)(C)C)[W]12(=NC(C)(C)C)Oc3c(cc(c(c3c3c(O1)c(cc(c3C)C(F)(F)F)C(C)(C)C)C)C(F)(F)F)C(C2)(C)C
Title of publication	Synthesis of Molybdenum and Tungsten Alkylidene Complexes that Contain atert-Butylimido Ligand
Authors of publication	Jeong, Hyangsoo; Schrock, Richard R.; Müller, Peter
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	17
Pages of publication	4408
a	12.8518 ± 0.0011 Å
b	17.2888 ± 0.0016 Å
c	15.1767 ± 0.0014 Å
α	90°
β	97.007 ± 0.001°
γ	90°
Cell volume	3347 ± 0.5 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0191
Residual factor for significantly intense reflections	0.0158
Weighted residual factors for significantly intense reflections	0.0363
Weighted residual factors for all reflections included in the refinement	0.0373
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
237038 (current)	2019-11-24	cif/ Adding structures of 4087831, 4087832 via cif-deposit CGI script.	4087832.cif