Crystallography Open Database

Information card for entry 7121825

Preview

Coordinates	7121825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H56 B N5 Si
Calculated formula	C34 H56 B N5 Si
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	19.1168 ± 0.0009 Å
b	17.0388 ± 0.0008 Å
c	21.9556 ± 0.0008 Å
α	90°
β	105.534 ± 0.002°
γ	90°
Cell volume	6890.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	0.906
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.	7121825.cif
208281	2018-06-12	cif/ Adding structures of 7121824, 7121825, 7121826 via cif-deposit CGI script.	7121825.cif