Crystallography Open Database

Information card for entry 7011027

Preview

Coordinates	7011027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H65 As Li6 N6
Calculated formula	C31.02 H67.86 As Li6 N6
Title of publication	Synthesis, structures and coordination behaviour of [As(NR)3]3− trianions
Authors of publication	Allan Bashall; Andrew D. Bond; Alexander D. Hopkins; Sara J. Kidd; Mary McPartlin; Alexander Steiner; Robert Wolf; Anthony D. Woods; Dominic S. Wright
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	3
Pages of publication	343 - 351
a	16.0568 ± 0.0012 Å
b	16.0568 ± 0.0012 Å
c	13.5862 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	3033.5 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1646
Weighted residual factors for all reflections included in the refinement	0.1699
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7011027.cif
179814	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/10.	7011027.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011027.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011027.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011027.cif