Crystallography Open Database

Information card for entry 4321340

Preview

Coordinates	4321340.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(n-Pr)2ATI]SnN3
Formula	C13 H19 N5 Sn
Calculated formula	C13 H19 N5 Sn
SMILES	[Sn]1([N](=C2C=CC=CC=C2N1CCC)CCC)N=N#N
Title of publication	Azido Derivatives of Low-Valent Group 14 Elements: Synthesis, Characterization, and Electronic Structure of [(n-Pr)2ATI]GeN3 and [(n-Pr)2ATI]SnN3 Featuring Heterobicyclic 10-π-Electron Ring Systems
Authors of publication	Ashley E. Ayers; Dennis S. Marynick; H. V. Rasika Dias
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	4147 - 4151
a	7.9221 ± 0.001 Å
b	10.1385 ± 0.0013 Å
c	19.989 ± 0.003 Å
α	90.465 ± 0.014°
β	91.358 ± 0.012°
γ	111.82 ± 0.009°
Cell volume	1489.8 ± 0.4 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0279
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
179316 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/13.	4321340.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321340.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321340.cif
18691	2011-05-03	../uploads/cif-deposit/cod/cif Adding structures of 4321340 via cif-deposit CGI script.	4321340.cif