Crystallography Open Database

Information card for entry 8100455

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Coordinates	8100455.cif

Structure parameters

Formula	C48 H120 Ge18 K6 N16 O12
Calculated formula	C48 H120 Ge18 K6 N16 O12
SMILES	[Ge]123[Ge]45([Ge]67[Ge]81[Ge]16[Ge]28[Ge]21[Ge]47[Ge]352)[Ge]123[Ge]45[Ge]67[Ge]81[Ge]16[Ge]47[Ge]41[Ge]28[Ge]354.[K]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9.[K]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9.[K+].[K+].NCCN.NCCN.NCCN.[K+].[K+].NCCN.NCCN.NCCN
Title of publication	Crystal structure of di[potassium([2.2.2]crypt)]tetrapotassium octadecagermanide(6‒) — ethylenediamine solvate (1:6), [K(C~18~H~36~N~2~O~6~)]~2~K~4~(Ge~9~)~2~ · 6C~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	4
Pages of publication	461 - 463
a	9.408 ± 0.0019 Å
b	13.606 ± 0.003 Å
c	19.507 ± 0.004 Å
α	84.74 ± 0.03°
β	81.35 ± 0.03°
γ	80.18 ± 0.03°
Cell volume	2426.8 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
187017 (current)	2016-10-07	Fixing some Z values and formulae in K compounds.	8100455.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	8100455.cif
106802	2014-03-17	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100455.cif
100883	2014-02-08	cif/8/10/ (antanas@lokys.ibt.lt) Adding volume numbers, changing journal name to a more informative one.	8100455.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100455.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.	8100455.cif
71	2008-02-01	20 CIFs fixed	8100455.cif
23	2008-01-27	Removed characters with the high-bit set from all COD CIF files, using the following commands: ff \*.cif \ \| xargs -n1 perl -ne 'print $ARGV,"\n" and last if /[\177-\377]/' \ \| tee have-high-bit-chars.lst cat have-high-bit-chars.lst \ \| xargs -t -n1 -iI sh -c 'iconv -f latin1 I \ \| utf8-to-cif \ \| perl -pe "s//\\\\/g" \ \| fold -w 79 -s > I.tmp; mv I.tmp I' Afterwards, some file were corrected manually, to remove one remaining \177 character, and to fix single-quoted lines that became too long and were folded.	8100455.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/'	8100455.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100455.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.	8100455.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)	8100455.cif