Crystallography Open Database

Information card for entry 1007098

Preview

Coordinates	1007098.cif
External links	AMCSD

Structure parameters

Chemical name	Disodium hydrogencyclo-triphosphate
Formula	H Na2 O9 P3
Calculated formula	H Na2 O9 P3
SMILES	[O-]P1(=O)OP(=O)(OP(=O)(O1)O)[O-].[Na+].[Na+]
Title of publication	Structure d'un Trimetaphosphate Acide de Sodium: Na~2~ H P~3~ O~9~
Authors of publication	Averbuch-Pouchot, M T; Guitel, J C; Durif, A
Journal of publication	Acta Crystallographica C (39,1983-)
Year of publication	1983
Journal volume	39
Pages of publication	809 - 810
a	7.788 ± 0.005 Å
b	7.809 ± 0.005 Å
c	7.129 ± 0.005 Å
α	116.69 ± 0.05°
β	103.41 ± 0.05°
γ	81.94 ± 0.05°
Cell volume	376.5 Å³
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.034
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.	1007098.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1007098.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.	1007098.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/'	1007098.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1007098.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.	1007098.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)	1007098.cif