Crystallography Open Database

Information card for entry 4308894

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H26 N4 O10 S2
Calculated formula	C6 H26 N4 O10 S2
SMILES	C(C[NH2+]CC[NH2+]CC[NH3+])[NH3+].O=S(=O)([O-])[O-].O.[O-]S(=O)(=O)[O-].O
Title of publication	The Role of Amine Sulfates in Hydrothermal Uranium Chemistry
Authors of publication	Alexander J. Norquist; Michael B. Doran; Dermot O'Hare
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3837 - 3843
a	7.2651 ± 0.0002 Å
b	7.3012 ± 0.0002 Å
c	8.3877 ± 0.0003 Å
α	90.26 ± 0.001°
β	100.323 ± 0.001°
γ	113.029 ± 0.0015°
Cell volume	401.46 ± 0.02 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	0.8999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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