Crystallography Open Database

Information card for entry 1572400

Preview

Coordinates	1572400.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	asymmetrically halogenated triaryl borane structure hydridecomplex
Chemical name	(2-chloro-6-fluorophenyl)bis(2,6-dichlorophenyl)(hydroxy)borate + piperidin-1-ium, +2 piperidine
Formula	C29 H31 B Cl5 F N2.2 O
Calculated formula	C29 H31 B Cl5 F N2.2 O
Title of publication	Illuminating the multiple Lewis acidity of triaryl-boranes <i>via</i> atropisomeric dative adducts.
Authors of publication	Kovács, Benjámin; Földes, Tamás; Szabó, Márk; Dorkó, Éva; Kótai, Bianka; Laczkó, Gergely; Holczbauer, Tamás; Domján, Attila; Pápai, Imre; Soós, Tibor
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	38
Pages of publication	15679 - 15689
a	10.208 ± 0.002 Å
b	17.008 ± 0.003 Å
c	20.085 ± 0.004 Å
α	90°
β	91.581 ± 0.006°
γ	90°
Cell volume	3485.8 ± 1.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1705
Residual factor for significantly intense reflections	0.1116
Weighted residual factors for significantly intense reflections	0.2789
Weighted residual factors for all reflections included in the refinement	0.3163
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295205 (current)	2024-10-06	cif/ Updating files of 1572399, 1572400 Original log message: Adding full bibliography for 1572399--1572400.cif.	1572400.cif
294222	2024-08-27	cif/ Adding structures of 1572399, 1572400 via cif-deposit CGI script.	1572400.cif