Crystallography Open Database

Information card for entry 4089122

Preview

Coordinates	4089122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 Au B Cl2 N P
Calculated formula	C22 H34 Au B Cl2 N P
SMILES	[Au]([P](c1c2c(cccc2ccc1)B(Cl)N(C(C)C)C(C)C)(C(C)C)C(C)C)Cl
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	8.3246 ± 0.0005 Å
b	10.9975 ± 0.0006 Å
c	14.0449 ± 0.0009 Å
α	88.883 ± 0.002°
β	81.291 ± 0.003°
γ	78.296 ± 0.002°
Cell volume	1244.47 ± 0.13 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0215
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0467
Weighted residual factors for all reflections included in the refinement	0.0474
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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.	4089122.cif