Crystallography Open Database

Information card for entry 4319328

4319327 << 4319328 >> 4319329

Preview

Coordinates	4319328.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(Mes)2DAP]GeN3
Formula	C23 H29 Ge N5
Calculated formula	C23 H29 Ge N5
SMILES	[Ge]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	7.469 ± 0.002 Å
b	23.637 ± 0.005 Å
c	12.788 ± 0.004 Å
α	90°
β	91.13 ± 0.03°
γ	90°
Cell volume	2257.2 ± 1 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	4
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	0.0678
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	4319328.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319328.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319328.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' ) &	4319328.cif
16060	2011-03-19	../uploads/cif-deposit/cod/cif Adding structures of 4319328 via cif-deposit CGI script.	4319328.cif