Crystallography Open Database

Information card for entry 4083707

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Structure parameters

Formula	C8 H24 B2 N2
Calculated formula	C8 H24 B2 N2
SMILES	[BH2]1[NH](C(C)(C)C)[BH2][NH]1C(C)(C)C
Title of publication	Stoichiometric and Catalytic Reactivity oftert-Butylamine–Borane with Calcium Silylamides
Authors of publication	Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	20
Pages of publication	5716
a	9.3985 ± 0.0004 Å
b	7.3499 ± 0.0004 Å
c	17.0003 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1174.35 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0936
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1667
Weighted residual factors for all reflections included in the refinement	0.1833
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4083707.cif
178726	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/37.	4083707.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	4083707.cif
117903	2014-06-20	cif/ Adding structures of 4083706, 4083707, 4083708 via cif-deposit CGI script.	4083707.cif