Crystallography Open Database

Information card for entry 2018259

2018258 << 2018259 >> 2018260

Preview

Coordinates	2018259.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane
Formula	C20 H32 B2 N4
Calculated formula	C20 H32 B2 N4
SMILES	CN(B(B(N(C)C)Nc1c(C)cccc1C)Nc1c(C)cccc1C)C
Title of publication	A variable-temperature study of 1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane
Authors of publication	Batsanov, Andrei S.; Bramham, George; Norman, Nicholas C.; Russell, Christopher A.
Journal of publication	Acta Crystallographica Section C
Year of publication	2011
Journal volume	67
Journal issue	10
Pages of publication	o394 - o396
a	10.4957 ± 0.0011 Å
b	9.6327 ± 0.001 Å
c	10.5554 ± 0.0011 Å
α	90°
β	98.06 ± 0.02°
γ	90°
Cell volume	1056.6 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018259.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018259.cif
29285	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 2018258, 2018259 via cif-deposit CGI script.	2018259.cif