Crystallography Open Database

Information card for entry 4331184

Preview

Coordinates	4331184.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	7
Formula	C9 H21 B2 N3
Calculated formula	C9 H21 B2 N3
SMILES	[N](C)(C)([BH2][n]1ccc(N(C)C)cc1)[BH3]
Title of publication	Donor-Acceptor Complexation and Dehydrogenation Chemistry of Aminoboranes
Authors of publication	Adam C. Malcolm; Kyle J. Sabourin; Robert McDonald; Michael J. Ferguson; Eric Rivard
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12905 - 12916
a	8.4065 ± 0.0006 Å
b	10.0395 ± 0.0008 Å
c	14.3963 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1215.01 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179414 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/11.	4331184.cif
80647	2013-04-08	cif/ Adding structures of 4331184 via cif-deposit CGI script.	4331184.cif