Information card for entry 2234109

Structure parameters

• Chemical name: Diaquabis(propane-1,3-diamine)nickel(II) bis(propane-1,3-diamine)disulfatonickelate(II)
• Formula: C12 H44 N8 Ni2 O10 S2
• Calculated formula: C12 H44 N8 Ni2 O10 S2
• SMILES: O(S(=O)(=O)[O-])[Ni]12([NH2]CCC[NH2]1)([NH2]CCC[NH2]2)OS(=O)(=O)[O-].[OH2][Ni]12([NH2]CCC[NH2]1)([NH2]CCC[NH2]2)[OH2]
• Title of publication: Diaquabis(propane-1,3-diamine)nickel(II) bis(propane-1,3-diamine)disulfatonickelate(II)
• Authors of publication: Rusanova, Julia A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m400 - m401
• a: 6.7055 ± 0.0001 Å
• b: 8.9098 ± 0.0002 Å
• c: 11.9504 ± 0.0004 Å
• α: 103.016 ± 0.002°
• β: 103.795 ± 0.002°
• γ: 105.729 ± 0.001°
• Cell volume: 634.52 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0283
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes