Crystallography Open Database

Information card for entry 1559899

Preview

Coordinates	1559899.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N2,N2'-(1,3-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate
Formula	C26 H44 N22 O4 S4
Calculated formula	C26 H44 N22 O4 S4
Title of publication	Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams
Authors of publication	Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.
Journal of publication	Chemistry-A European Journal
Year of publication	2020
Journal volume	26
Journal issue	31
Pages of publication	7026 - 7040
a	16.7736 ± 0.0004 Å
b	21.5283 ± 0.0005 Å
c	22.2754 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	8043.8 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1926
Weighted residual factors for all reflections included in the refinement	0.1973
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260352 (current)	2021-01-02	cif/ Adding structures of 1559899 via cif-deposit CGI script.	1559899.cif