Crystallography Open Database

Information card for entry 4061114

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Coordinates	4061114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H72 Cr2 Mo2 N2 O18 Te2
Calculated formula	C50 H72 Cr2 Mo2 N2 O18 Te2
SMILES	[N+](CCCC)(CCCC)(CCCC)CCCC.C([Mo]1(C#[O])(C#[O])(C#[O])[Te]([Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[Mo](C#[O])(C#[O])(C#[O])(C#[O])[Te]1[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])#[O].[N+](CCCC)(CCCC)(CCCC)CCCC
Journal of publication	Organometallics
Year of publication	2004
a	11.819 ± 0.006 Å
b	16.86 ± 0.006 Å
c	18.887 ± 0.008 Å
α	90°
β	97.5 ± 0.04°
γ	90°
Cell volume	3732 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178508 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/11.	4061114.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4061114.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4061114.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.	4061114.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.	4061114.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/'	4061114.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4061114.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.	4061114.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)	4061114.cif