Crystallography Open Database

Information card for entry 2207434

2207433 << 2207434 >> 2207435

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Structure parameters

Chemical name	Diethylenetriammonium oxonium naphthalene-1,6-disulfonate 3.5-hydrate
Formula	C24 H38 N3 O16.5 S4
Calculated formula	C24 H38 N3 O16.5 S4
Title of publication	Diethylenetriammonium oxonium naphthalene-1,6-disulfonate 3.5-hydrate
Authors of publication	Zhi-Min Jin; Li Li; Li-Zhao Chen; Ling-Su Li; Mao-Lin Hu
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	12
Pages of publication	o4325 - o4327
a	25.392 ± 0.002 Å
b	13.1747 ± 0.0011 Å
c	19.5144 ± 0.0016 Å
α	90°
β	96.011 ± 0.002°
γ	90°
Cell volume	6492.3 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1402
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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