Crystallography Open Database

Information card for entry 8100385

Preview

Coordinates	8100385.cif

Structure parameters

Formula	C28 H68 Ge9 K2 N8 O8 Rb2
Calculated formula	C28 H68 Ge9 K2 N8 O8 Rb2
SMILES	[Ge]123[Ge]45[Ge]67[Ge]81[Ge]196[Ge]628[Ge]35[Ge]96[Ge]471.[Rb+].[Rb+].[K]12345[O]6CC[O]1CC[NH]4CC[O]2CC[O]3CC[NH]5CC6.[K]12345[O]6CC[NH]4CC[O]3CC[O]2CC[NH]5CC[O]1CC6.NCCN.NCCN
Title of publication	Crystal structure of di[K(18-crown-6)]dirubidium nonagermanide(4‒) diethylenediamine, [K(C~12~H~26~N~2~O~4~)]~2~Rb~2~[Ge~9~] · 2C~2~N~2~H~8~
Authors of publication	Hauptmann, Ralf; Fässler, Thomas F.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2003
Journal volume	218
Journal issue	3
Pages of publication	370 - 372
a	16.864 ± 0.003 Å
b	12.091 ± 0.002 Å
c	26.466 ± 0.005 Å
α	90°
β	97.28 ± 0.03°
γ	90°
Cell volume	5352.8 ± 1.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8100385.cif
106801	2014-03-16	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100385.cif
100883	2014-02-08	cif/8/10/ (antanas@lokys.ibt.lt) Adding volume numbers, changing journal name to a more informative one.	8100385.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100385.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	8100385.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	8100385.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	8100385.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100385.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	8100385.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	8100385.cif