Crystallography Open Database

Information card for entry 1506832

Preview

Coordinates	1506832.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	melaminium pyrophosphate
Chemical name	bis(2,4,6-triamino-1,3,5-triazinium) pyrophosphate
Formula	C6 H16 N12 O7 P2
Calculated formula	C6 H16 N12 O7 P2
Title of publication	Structure of Melaminium Dihydrogenpyrophosphate and Its Formation from Melaminium Dihydrogenphosphate Studied with Powder Diffraction Data, Solid-State NMR, and Theoretical Calculations
Authors of publication	Brodski, Vladimir; Peschar, René; Schenk, Henk; Brinkmann, Andreas; van Eck, Ernst R. H.; Kentgens, Arno P. M.; Coussens, Betty; Braam, Ad
Journal of publication	The Journal of Physical Chemistry B
Year of publication	2004
Journal volume	108
Journal issue	39
Pages of publication	15069
a	10.8932 ± 0.0001 Å
b	11.2079 ± 0.0001 Å
c	6.8424 ± 0.0001 Å
α	104.969 ± 0.0006°
β	101.473 ± 0.0008°
γ	83.805 ± 0.0003°
Cell volume	789.501 ± 0.016 Å³
Cell temperature	301 K
Ambient diffraction temperature	301 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Goodness-of-fit parameter for all reflections	6.71
Method of determination	powder diffraction
Diffraction radiation wavelength	0.79942 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1506832.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506832.cif
51471	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506832 via cif-deposit CGI script.	1506832.cif