Crystallography Open Database

Information card for entry 4124571

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Structure parameters

Formula	C4 H15 B2 N O
Calculated formula	C4 H15 B2 N O
Title of publication	Formation Mechanisms, Structure, Solution Behavior, and Reactivity of Aminodiborane.
Authors of publication	Li, Huizhen; Ma, Nana; Meng, Wenjuan; Gallucci, Judith; Qiu, Yongqing; Li, Shujun; Zhao, Qianyi; Zhang, Jie; Zhao, Ji-Cheng; Chen, Xuenian
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	38
Pages of publication	12406 - 12414
a	7.9776 ± 0.0004 Å
b	10.4105 ± 0.0004 Å
c	9.8963 ± 0.0005 Å
α	90°
β	94.742 ± 0.002°
γ	90°
Cell volume	819.08 ± 0.07 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0903
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1617
Weighted residual factors for all reflections included in the refinement	0.1829
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
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
301834 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure.	4124571.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4124571.cif
159590	2015-10-05	cif/ Adding structures of 4124571, 4124572 via cif-deposit CGI script.	4124571.cif