Crystallography Open Database

Information card for entry 4089124

Preview

Coordinates	4089124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H31 B Br4 Ga P
Calculated formula	C22 H31 B Br4 Ga P
SMILES	c12c3c(cccc3ccc1)B(C1CCCCC1)[P+]2(C(C)C)C(C)C.[Ga](Br)([Br-])(Br)Br
Title of publication	Amino and Alkyl B-Substituted P-Stabilized Borenium Salts
Authors of publication	Devillard, Marc; Bouhadir, Ghenwa; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	21
Pages of publication	3788
a	7.8267 ± 0.0005 Å
b	19.0575 ± 0.0013 Å
c	17.7639 ± 0.0014 Å
α	90°
β	96.243 ± 0.003°
γ	90°
Cell volume	2633.9 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0594
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1138
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
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
237999 (current)	2019-11-24	cif/ Adding structures of 4089120, 4089121, 4089122, 4089123, 4089124 via cif-deposit CGI script.	4089124.cif