Crystallography Open Database

Information card for entry 4335411

Preview

Structure parameters

Chemical name	bis-(N,N-bis(trimethylsilyl)amino)chloroarsane
Formula	C12 H36 As Cl N2 Si4
Calculated formula	C12 H36 As Cl N2 Si4
SMILES	[As](Cl)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Structure and Bonding of Novel Acyclic Bisaminoarsenium Cations
Authors of publication	Christian Hering; Julia Rothe; Axel Schulz; Alexander Villinger
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7781 - 7790
a	13.3421 ± 0.0006 Å
b	16.781 ± 0.0009 Å
c	20.5614 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4603.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1263
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4335411.cif
179457	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/54.	4335411.cif
101339	2014-02-11	cif/ Adding structures of 4335411 via cif-deposit CGI script.	4335411.cif