Crystallography Open Database

Information card for entry 4087485

Preview

Coordinates	4087485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H65 B F4 Mo2 N3 P
Calculated formula	C44 H65 B F4 Mo2 N3 P
Title of publication	Carbyne‒Carbyne Coupling and H-Shifts in Reactions of the Unsaturated Methoxy- and Hydroxycarbyne Complexes [Mo2Cp2(μ-COR)(μ-CPh)(μ-PCy2)]+ with CO and Isocyanides
Authors of publication	Alvarez, M. Angeles; García, M. Esther; Menéndez, Sonia; Ruiz, Miguel A.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	9
Pages of publication	1681
a	39.739 ± 0.003 Å
b	12.1958 ± 0.0012 Å
c	19.7064 ± 0.0018 Å
α	90°
β	113.273 ± 0.004°
γ	90°
Cell volume	8773.6 ± 1.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
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	0.0746
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation probe	x-ray
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
236818 (current)	2019-11-24	cif/ Adding structures of 4087483, 4087484, 4087485 via cif-deposit CGI script.	4087485.cif