Crystallography Open Database

Information card for entry 4321915

4321914 << 4321915 >> 4321916

Preview

Coordinates	4321915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H216 Ge18 K6 N12 O36
Calculated formula	C110.5 H217 Ge18 K6 N15 O36
Title of publication	Conformation Isomerism of Nonagermanide Ions. Crystal Structures of Brown and Red [K-([2.2.2]crypt)]6Ge9Ge9.(ethylenediamine)x (x= 0.5, 1.5)
Authors of publication	Thomas F. Fässler; Uwe Schütz
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	1866 - 1870
a	14.503 ± 0.001 Å
b	19.924 ± 0.002 Å
c	28.935 ± 0.003 Å
α	87.43 ± 0.01°
β	80.85 ± 0.01°
γ	85.92 ± 0.01°
Cell volume	8228.9 ± 1.3 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1365
Residual factor for significantly intense reflections	0.0884
Weighted residual factors for significantly intense reflections	0.2334
Weighted residual factors for all reflections included in the refinement	0.2691
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179322 (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 4/32/19.	4321915.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321915.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321915.cif
19778	2011-05-25	../uploads/cif-deposit/cod/cif Adding structures of 4321915 via cif-deposit CGI script.	4321915.cif