Crystallography Open Database

Information card for entry 4515590

Preview

Coordinates	4515590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27 B2 F12 P
Calculated formula	C28 H27 B2 F12 P
Title of publication	Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair
Authors of publication	Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	5
Pages of publication	4459
a	11.7104 ± 0.0003 Å
b	12.4425 ± 0.0003 Å
c	12.4488 ± 0.0003 Å
α	71.092 ± 0.001°
β	69.578 ± 0.001°
γ	64.329 ± 0.001°
Cell volume	1499.65 ± 0.07 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0927
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1901
Weighted residual factors for all reflections included in the refinement	0.2248
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
225739 (current)	2019-11-10	cif/ Adding structures of 4515588, 4515589, 4515590 via cif-deposit CGI script.	4515590.cif