Crystallography Open Database

Information card for entry 4331181

Preview

Coordinates	4331181.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3
Formula	C19.5 H42.96 B2 Cl3.04 N P
Calculated formula	C18 H39.96 B2 Cl0.04 N P
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	10.913 ± 0.0006 Å
b	18.3557 ± 0.001 Å
c	13.6997 ± 0.0008 Å
α	90°
β	110.923 ± 0.001°
γ	90°
Cell volume	2563.3 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4331181.cif
80644	2013-04-08	cif/ Adding structures of 4331181 via cif-deposit CGI script.	4331181.cif