Crystallography Open Database

Information card for entry 8100872

Preview

Coordinates	8100872.cif

Structure parameters

Formula	C16 H54 Mo7 N4 Na2 O31
Calculated formula	C16 H54 Mo7 N4 Na2 O31
SMILES	[Mo]12345[O]67[Mo]8(O4)(O[Mo]46([O]2[Mo]2([O]61[Mo](O5)(O2)(O[Mo]16([O]3[Mo]7(O8)(O1)(=O)=O)(=O)=O)(=O)=O)(O4)(=O)=O)(=O)=O)(=O)=O.[Na+].[Na+].OCC[NH+](C)C.OCC[NH+](C)C.OCC[NH+](C)C.OCC[NH+](C)C.O.O.O
Title of publication	Crystal structure of catena-poly[(dimethyl(2-hydroxyethyl)ammonium)- {sodium-μ-[aquatris(dimethyl(2-hydroxyethyl)ammonium)-sodiumheptamolybdato (VI)-O',O'',O''':O'''',O''''',O'''''']}diwater], {(C~4~H~12~NO)[(C~4~H~12~NO) ~3~(H~2~O)Na~2~Mo~7~O~24~] · 2H~2~O}~n~
Authors of publication	Klinga, Martti; Turpeinen, Urho; Hämäläinen, Reijo
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2001
Journal volume	216
Journal issue	1
Pages of publication	132 - 134
a	14.857 ± 0.003 Å
b	16.266 ± 0.003 Å
c	17.769 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4294.1 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
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.	8100872.cif
103177	2014-02-26	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100872.cif
100679	2014-02-06	cif/8/ (antanas@lokys.ibt.lt) Adding paper volume.	8100872.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100872.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.	8100872.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/'	8100872.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100872.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.	8100872.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)	8100872.cif