Crystallography Open Database

Information card for entry 4127252

Preview

Coordinates	4127252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H25 B11 N2
Calculated formula	C9 H25 B11 N2
SMILES	C1(N(C)C(C)=C(C)N1C)=[BH2][C]1234[BH]567[BH]891[BH]1%103[BH]3%119[BH]968[BH]687[BH]725[BH]256[BH]13([BH]%11982)[CH]4%1075
Title of publication	Structural Characterization of a Boron(III) η<sup>2</sup>-σ-Silane-Complex.
Authors of publication	Liu, Yizhen; Su, Bo; Dong, Weishi; Li, Zhen Hua; Wang, Huadong
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	20
Pages of publication	8358 - 8363
a	12.895 ± 0.004 Å
b	13.313 ± 0.005 Å
c	9.993 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1715.5 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1059
Residual factor for significantly intense reflections	0.0927
Weighted residual factors for significantly intense reflections	0.2138
Weighted residual factors for all reflections included in the refinement	0.2206
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
223195 (current)	2019-11-04	cif/ Updating files of 4127250, 4127251, 4127252 Original log message: Adding full bibliography for 4127250--4127252.cif.	4127252.cif
215099	2019-05-13	cif/ Adding structures of 4127252 via cif-deposit CGI script.	4127252.cif