Crystallography Open Database

Information card for entry 4319326

4319325 << 4319326 >> 4319327

Preview

Coordinates	4319326.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(Mes)2DAP]GeCl
Formula	C23 H29 Cl Ge N2
Calculated formula	C23 H29 Cl Ge N2
SMILES	[Ge]1(Cl)N(C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C
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	26.967 ± 0.004 Å
b	12.369 ± 0.004 Å
c	14.5548 ± 0.0013 Å
α	90°
β	114.144 ± 0.006°
γ	90°
Cell volume	4430.1 ± 1.6 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0818
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
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.	4319326.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319326.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319326.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' ) &	4319326.cif
16058	2011-03-19	../uploads/cif-deposit/cod/cif Adding structures of 4319326 via cif-deposit CGI script.	4319326.cif