Information card for entry 2020714

Structure parameters

• Formula: Cr D20 N2 O14 S2
• Calculated formula: Cr D20 N2 O14 S2
• SMILES: [Cr]([O]([2H])[2H])([O]([2H])[2H])([O]([2H])[2H])[O]([2H])[2H].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].O([2H])[2H].O([2H])[2H].[N+]([2H])([2H])([2H])[2H].[N+]([2H])([2H])([2H])[2H]
• Title of publication: The structure of (ND4)2Cr(SO4)2.6D2O at 4.3 K by neutron diffraction
• Authors of publication: Figgis, Brian N.; Kucharski, Edward S.; Forsyth, J. Bruce
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Pages of publication: 419 - 421
• a: 9.488 ± 0.002 Å
• b: 12.816 ± 0.004 Å
• c: 6.097 ± 0.002 Å
• α: 90°
• β: 107.11 ± 0.01°
• γ: 90°
• Cell volume: 708.6 ± 0.4 ų
• Ambient diffraction temperature: 4.3 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.029
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.176 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No