Crystallography Open Database

Information card for entry 4306708

Preview

Coordinates	4306708.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(azidodimethylsilyl)-N-[bis-(2,4,6-trimethylphenyl)phenyl]amino- methyl-chloroarsane
Formula	C27 H34 As Cl N4 Si
Calculated formula	C27 H34 As Cl N4 Si
SMILES	[As](Cl)(N([Si](N=N#N)(C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C
Title of publication	Lewis-Acid-Assisted Methyl Exchange Reactions In Silylated Aminodichloroarsanes
Authors of publication	Dirk Michalik; Axel Schulz; Alexander Villinger
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11798 - 11806
a	10.681 ± 0.002 Å
b	15.587 ± 0.003 Å
c	16.446 ± 0.003 Å
α	90°
β	94.55 ± 0.03°
γ	90°
Cell volume	2729.4 ± 0.9 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
179105 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/67.	4306708.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306708.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306708.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306708.cif