Crystallography Open Database

Information card for entry 4319329

4319328 << 4319329 >> 4319330

Preview

Coordinates	4319329.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(Mes)2DAP]SnN3
Formula	C23 H29 N5 Sn
Calculated formula	C23 H29 N5 Sn
SMILES	[Sn]1(N(C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)N=N#N
Title of publication	Azido Derivatives of Germanium(II) and Tin(II): Syntheses and Characterization of [(Mes)2DAP]GeN3, [(Mes)2DAP]SnN3, and the Corresponding Chloro Analogues Featuring Heterocyclic Six-π-Electron Ring Systems (where [(Mes)2DAP] = {N(Mes)C(Me)}2CH)
Authors of publication	Ashley E. Ayers; Thomas M. Klapötke; H. V. Rasika Dias
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	1000 - 1005
a	10.8207 ± 0.0011 Å
b	15.254 ± 0.002 Å
c	14.9234 ± 0.0016 Å
α	90°
β	108.285 ± 0.009°
γ	90°
Cell volume	2338.9 ± 0.5 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 2 K
Number of distinct elements	4
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	0.0464
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
179273 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/93.	4319329.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319329.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319329.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4319329.cif
16061	2011-03-19	../uploads/cif-deposit/cod/cif Adding structures of 4319329 via cif-deposit CGI script.	4319329.cif