Crystallography Open Database

Information card for entry 2243708

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Structure parameters

Chemical name	Hexaquaaluminium sulfate nitrate dihydrate
Formula	Al H16 N O15 S
Calculated formula	Al H16 N O15 S
SMILES	[Al]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-].N(=O)(=O)[O-].O.O
Title of publication	Synthesis and crystal structures of [Al(H~2~O)~6~](SO~4~)NO~3~·2H~2~O and [Al(H~2~O)~6~](SO~4~)Cl·H~2~O
Authors of publication	Svensson, Fredric G.
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	1
Pages of publication	58 - 61
a	6.088 ± 0.004 Å
b	7.377 ± 0.005 Å
c	13.721 ± 0.009 Å
α	77.34 ± 0.006°
β	89.561 ± 0.007°
γ	82.712 ± 0.007°
Cell volume	596.3 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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 all reflections	0.0363
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301807 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure.	2243708.cif
259928	2020-12-16	cif/ Adding structures of 2243708, 2243709 via cif-deposit CGI script.	2243708.cif