Crystallography Open Database

Information card for entry 8100475

Preview

Coordinates	8100475.cif

Structure parameters

Formula	C16 H60 Mo4 N24 O36
Calculated formula	C16 H52 Mo4 N24 O36
SMILES	[Mo]123(=O)(OO1)(OO2)OC(=O)[C@@H](O3)[C@H]1C(=O)O[Mo]23(O1)(=O)(OO2)OO3.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O.O.[Mo]123(=O)(OO1)(OO2)OC(=O)[C@H](O3)[C@@H]1C(=O)O[Mo]23(O1)(=O)(OO2)OO3.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O.O
Title of publication	Crystal structure of tetraguanidinium dioxo-tetraperoxo-m-tartratodimolybdate (VI) dihydrate, (CN~3~H~6~)~4~[Mo~2~O~2~(O~2~)~4~(C~4~H~2~O~6~)] · 2H~2~O
Authors of publication	Tinant, Bernard; Bayot, Daisy; Devillers, Michel
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2003
Journal volume	218
Journal issue	4
Pages of publication	572 - 574
a	29.387 ± 0.009 Å
b	9.979 ± 0.003 Å
c	19.062 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5590 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	8100475.cif
106802	2014-03-17	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100475.cif
100883	2014-02-08	cif/8/10/ (antanas@lokys.ibt.lt) Adding volume numbers, changing journal name to a more informative one.	8100475.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100475.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.	8100475.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/'	8100475.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100475.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.	8100475.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)	8100475.cif