Crystallography Open Database

Information card for entry 4001502

Preview

Coordinates	4001502.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Melaminium tricyanomelaminate hydrate
Chemical name	Dimelaminium hydrogen tricyanomelaminate hydrate
Formula	C12 H19.8 N21 O2.4
Calculated formula	C12 H19.798 N21 O2.399
SMILES	Nc1nc(N)[nH+]c(n1)N.Nc1nc(N)[nH+]c(n1)N.N#CN=C1NC([N-]C#N)=NC(=N1)[N-]C#N.O.O.O
Title of publication	From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials
Authors of publication	Lotsch, Bettina V.; Schnick, Wolfgang
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	7
Pages of publication	1891
a	10.295 ± 0.002 Å
b	11.203 ± 0.002 Å
c	11.207 ± 0.002 Å
α	104.22 ± 0.03°
β	112.74 ± 0.03°
γ	104.62 ± 0.03°
Cell volume	1064.8 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
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	0.1015
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4001502.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001502.cif
47578	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001500, 4001501, 4001502 via cif-deposit CGI script.	4001502.cif