Crystallography Open Database

Information card for entry 7011030

Preview

Coordinates	7011030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H98 As2 Li8 N16 O8
Calculated formula	C72 H98 As2 Li8 N16 O8
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	11.8168 ± 0.0006 Å
b	13.209 ± 0.0006 Å
c	14.3578 ± 0.0005 Å
α	82.657 ± 0.003°
β	71.871 ± 0.003°
γ	69.363 ± 0.002°
Cell volume	1992.75 ± 0.16 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	7011030.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.	7011030.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011030.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011030.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011030.cif