Crystallography Open Database

Information card for entry 4302864

Preview

Coordinates	4302864.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-azido-2,4-bis[2,4-bis-(2,4,6-trimethylphenyl)phenyl]-cyclo-1,3-diarsa -2,4-diazenium bis[hexachloridogallate(III)]
Formula	C48 H50 As2 Cl6 Ga2 N8
Calculated formula	C48 H50 As2 Cl6 Ga2 N8
SMILES	[As]2N(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[As]([N]=2c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)N=N#N.[Ga]([N]([Ga](Cl)(Cl)Cl)=N#N)(Cl)(Cl)Cl
Title of publication	Cyclic Arsenic-Nitrogen Cations
Authors of publication	Axel Schulz; Alexander Villinger
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	7359 - 7367
a	16.018 ± 0.003 Å
b	15.075 ± 0.003 Å
c	22.445 ± 0.003 Å
α	90°
β	103.922 ± 0.014°
γ	90°
Cell volume	5260.6 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.075
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
179066 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/28.	4302864.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302864.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302864.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302864.cif