Crystallography Open Database

Information card for entry 1100690

Preview

Coordinates	1100690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H32 N4 O16 P4
Calculated formula	C8 H32 N4 O16 P4
SMILES	[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1.O.O.O=P1(OP(=O)(OP(=O)([O-])OP(=O)(O1)[O-])[O-])[O-].O.O
Title of publication	Structural Characterization of a New Organic Cyclotetraphosphate, [C~4~H~8~N~2~H~4~]~2~P~4~O~12~·4H~2~O
Authors of publication	Hemissi, Hanène; Abid, Sonia; Rzaigui, Mohamed
Journal of publication	Analytical Sciences: X-ray Structure Analysis Online
Year of publication	2004
Journal volume	20
Pages of publication	x1 - x2
a	7.733 ± 0.003 Å
b	10.511 ± 0.002 Å
c	7.715 ± 0.002 Å
α	98.17 ± 0.02°
β	109.89 ± 0.02°
γ	82.79 ± 0.02°
Cell volume	581.7 ± 0.3 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Diffraction radiation wavelength	0.5608 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
134161 (current)	2015-03-19	cif/1/10/ (antanas@echidna.ibt.lt) Changed the order of tags in '_atom_site' loop after consulting the original paper for CIF 1100690. Also, added Hall spacegroup symbol and full bibliography.	1100690.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	1100690.cif
77582	2013-03-28	cod/ (inesa@sabalas) Correcting author names that were in all uppercase letters in 12 range 1 and 1 range 2 file.	1100690.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1100690.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.	1100690.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/'	1100690.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1100690.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.	1100690.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)	1100690.cif