Crystallography Open Database

Information card for entry 7001625

Preview

Coordinates	7001625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H4 F24 Ge2 N8
Calculated formula	C20 H4 F24 Ge2 N8
Title of publication	Neutral and cationic main group element cages of germanium(ii) with pyrazolyl ligands: solid state structures, DFT calculations and advanced solution NMR investigations
Authors of publication	Krummenacher, Ivo; Fernández, Ignacio; Rüegger, Heinz; Weigend, Florian; Breher, Frank
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	27
Pages of publication	5335 - 5347
a	9.1677 ± 0.0006 Å
b	37.262 ± 0.002 Å
c	9.3337 ± 0.0006 Å
α	90°
β	110.56 ± 0.001°
γ	90°
Cell volume	2985.4 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.0519
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179714 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/16.	7001625.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001625.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001625.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001625.cif