Crystallography Open Database

Information card for entry 7213145

Preview

Coordinates	7213145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H22 N8 S6
Calculated formula	C23 H14 N8 S6
Title of publication	An organic channel structure formed by the supramolecular assembly of trithiocyanuric acid and 4,4′‐bipyridyl
Authors of publication	Ranganathan, Anupama; Pedireddi, V. R.; Chatterjee, Swati; Rao, C. N. R.
Journal of publication	Journal of Materials Chemistry
Year of publication	1999
Journal volume	9
Journal issue	10
Pages of publication	2407
a	7.112 ± 0.001 Å
b	10.489 ± 0.001 Å
c	10.681 ± 0.001 Å
α	65.4 ± 0.01°
β	76.58 ± 0.01°
γ	73.05 ± 0.01°
Cell volume	687.35 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0885
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for all reflections	0.2136
Weighted residual factors for significantly intense reflections	0.1828
Goodness-of-fit parameter for all reflections	1.446
Goodness-of-fit parameter for significantly intense reflections	1.453
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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