Crystallography Open Database

Information card for entry 7210014

Preview

Coordinates	7210014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 N18 O6
Calculated formula	C12 H18 N18 O6
Title of publication	The structure of the melamine‒cyanuric acid co-crystal
Authors of publication	Prior, Timothy J.; Armstrong, Jennifer A.; Benoit, David M.; Marshall, Kayleigh L.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	29
Pages of publication	5838
a	14.8152 ± 0.0019 Å
b	9.6353 ± 0.0018 Å
c	7.0405 ± 0.0009 Å
α	90°
β	93.194 ± 0.011°
γ	90°
Cell volume	1003.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.0727
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180431 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/00.	7210014.cif
86902	2013-07-12	cif/ Adding structures of 7210014 via cif-deposit CGI script.	7210014.cif