Information card for entry 2207006

Structure parameters

• Chemical name: Bis(benzylaminium) tetraaquadisulfatomanganate(II)
• Formula: C14 H28 Mn N2 O12 S2
• Calculated formula: C14 H28 Mn N2 O12 S2
• SMILES: C(c1ccccc1)[NH3+].O(S(=O)(=O)[O-])[Mn]([OH2])([OH2])(OS(=O)(=O)[O-])([OH2])[OH2].C(c1ccccc1)[NH3+]
• Title of publication: Bis(benzylaminium) tetraaquadisulfatomanganate(II)
• Authors of publication: Naumov, Panc̆e; Jordanovska, Vera; Ng, Seik Weng
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m1970 - m1971
• a: 6.5934 ± 0.0004 Å
• b: 8.0307 ± 0.0005 Å
• c: 11.2873 ± 0.0008 Å
• α: 80.62 ± 0.001°
• β: 82.639 ± 0.001°
• γ: 77.613 ± 0.001°
• Cell volume: 573.24 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No