Crystallography Open Database

Information card for entry 4302862

Preview

Coordinates	4302862.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-chloro-2,4-bis[2,4-bis-(2,4,6-trimethylphenyl)phenyl]-cyclo-1,3-diarsa -2,4-diazenium tetrachlorogallate
Formula	C48 H50 As2 Cl5 Ga N2
Calculated formula	C48 H50 As2 Cl5 Ga N2
SMILES	[As+]1N([As](N1c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)Cl)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[Ga](Cl)(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	14.932 ± 0.003 Å
b	18.372 ± 0.004 Å
c	18.318 ± 0.004 Å
α	90°
β	112.23 ± 0.03°
γ	90°
Cell volume	4652 ± 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	0.071
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	4302862.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302862.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302862.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302862.cif