Crystallography Open Database

Information card for entry 7121824

Preview

Coordinates	7121824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H71 B N4
Calculated formula	C57 H71 B N4
Title of publication	Cleavage of BN triple bonds by main group reagents.
Authors of publication	Winner, Lena; Hermann, Alexander; Bélanger-Chabot, Guillaume; González-Belman, Oscar F; Jiménez-Halla, J Oscar C; Kelch, Hauke; Braunschweig, Holger
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	59
Pages of publication	8210 - 8213
a	10.344 ± 0.008 Å
b	15.31 ± 0.009 Å
c	15.375 ± 0.01 Å
α	96.097 ± 0.014°
β	93.5 ± 0.02°
γ	101.648 ± 0.017°
Cell volume	2363 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0904
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
228552 (current)	2019-11-17	cif/ Updating files of 7121824, 7121825, 7121826 Original log message: Adding full bibliography for 7121824--7121826.cif.	7121824.cif
208281	2018-06-12	cif/ Adding structures of 7121824, 7121825, 7121826 via cif-deposit CGI script.	7121824.cif