Crystallography Open Database

Information card for entry 1008321

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Coordinates	1008321.cif

Structure parameters

Chemical name	Bis(sodium cyclo-triphosphate) hexaoxotelluric acid hexahydrat
Formula	H18 Na6 O30 P6 Te
Calculated formula	H24 Na6 O30 P6 Te
SMILES	O1P(=O)([O-])OP([O-])(=O)OP1(=O)[O-].[Na+].[Na+].O.[Na+].O=P1(OP(=O)(OP(=O)(O1)[O-])[O-])[O-].[Na+].O.[Te](O)(O)(O)(O)(O)O.O.O.[Na+].[Na+].O.O
Title of publication	Neutron structural refinement of Te (O H)~6~ (Na~3~ P~3~ O~9~)~2~ (H~2~ O)~6~, study of hydrogen bonds
Authors of publication	Boudjada, N; Lambert Andron, B
Journal of publication	Zeitschrift fuer Kristallographie (149,1979-)
Year of publication	1985
Journal volume	172
Pages of publication	45 - 53
a	11.67 ± 0.01 Å
b	11.67 ± 0.01 Å
c	12.12 ± 0.01 Å
α	90°
β	90°
γ	120°
Cell volume	1429.5 Å³
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.054
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
186636 (current)	2016-09-18	cif/1/ Adding attached hydrogens to O atoms.	1008321.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1008321.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1008321.cif
1063	2010-03-31	cif/ Fixing all author names that had '=' instead of ' ' (space sign): grep '^[0-9]' author-names-with-=.lst\| awk '{print "../"substr($1,0,1)"/"$1".cif"}'\| xargs -i sh -xc " perl -i -pe 's/=/ /g if /_publ_author_name/.../^_/' {}" and restoring journal names manualy afterwards.	1008321.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.	1008321.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/'	1008321.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1008321.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.	1008321.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)	1008321.cif