Crystallography Open Database

Information card for entry 8101063

Preview

Coordinates	8101063.cif

Structure parameters

Formula	C16 H112 Mo28 N20 Na4 O104
Calculated formula	C16 Mo28 N20 Na4 O104
SMILES	[Mo]12345[O]67[Mo]89%10([O]1[Mo]1%11(O8)([O]84[Mo]4(O5)(O%11)(=[O][Na]5%11%12([O]=1)[O]=[Mo]18([O]2[Mo]27(O[Mo]6(O3)(O%10)(=[O][Na]36([O]=9)([O]=2)[O]=[Mo]278(=O)O[Mo]9%10([O]%137[Mo]7(O8)(=[O]3)(=O)O[Mo]38%14([O]7[Mo]7%15%13(O2)[O]%10[Mo]2%10(O9)(O[Mo](=[O][Na]9%13([O]=[Mo]%16%17%18([O]%19%20[Mo]%21%22%23%24[O]%16[Mo]%16%25(O%17)([O]%17%23[Mo]%23(O%24)(O%25)(=[O][Na]%24%25([O]=%16)([O]=[Mo]%16%17([O]%21[Mo]%20(O[Mo]%19(O%22)(O%18)(=[O]9)O)(=[O]%13)(=O)O%16)(O%23)=O)[O]=[Mo]9%13%16(=O)O[Mo]%17%18(O[Mo]%19%20(O[Mo]%21%22(=[O]5)(=O)O[Mo]5%23([O]%19%21[Mo]%19(O%22)(=[O]%11)(=O)O[Mo]([O]5%19)([O]%13%18%23)(O%16)(=[O]%24)=O)([O]%17%20)O9)(=[O]%12)=O)(=[O]%25)=O)=O)=O)=O)([O]=%14)[O]=%10)(=O)(O7)([O]3%152)O8)=O)=O)(=[O]6)=O)=O)(=O)O1)(O4)=O)=O)=O)=O.OCCN(C)C.OCCN(C)C.OCCN(C)C.OCCN(C)C.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O.O.O.O
Title of publication	Crystal structure of hexadecaammomium tetra[dimethyl(2-hydroxyethyl) ammonium] cyclo-tetrakis[sodium-μ-heptamolybdato(VI)-O',O'', O''':O'''',O''''',O''''''](5-) tetrawater, (NH~4~)~16~(C~4~H~12~NO) ~4~[NaMo~7~O~24~]~4~ · 4H~2~O
Authors of publication	Turpeinen, Urho; Mutikainen, Ilpo; Klinga, Martti; Hämäläinen, Reijo
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2001
Journal volume	216
Journal issue	4
Pages of publication	515 - 516
a	22.275 ± 0.006 Å
b	36.758 ± 0.009 Å
c	11.059 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	9055 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	59
Hermann-Mauguin space group symbol	P m m n :2
Hall space group symbol	-P 2ab 2a
Has coordinates	Yes
Has disorder	Yes
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.	8101063.cif
103191	2014-02-27	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8101063.cif
100679	2014-02-06	cif/8/ (antanas@lokys.ibt.lt) Adding paper volume.	8101063.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8101063.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.	8101063.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.	8101063.cif
71	2008-02-01	20 CIFs fixed	8101063.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/'	8101063.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8101063.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.	8101063.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)	8101063.cif