Information card for entry 2228267

Structure parameters

• Chemical name: (μ-Butane-1,2,3,4-tetracarboxylato)bis[triaqua(1,10-phenanthroline)nickel(II)] hexahydrate
• Formula: C32 H46 N4 Ni2 O20
• Calculated formula: C32 H46 N4 Ni2 O20
• SMILES: C(=O)(C[C@H]([C@H](CC(=O)O[Ni]1([n]2cccc3ccc4ccc[n]1c4c23)([OH2])([OH2])[OH2])C(=O)[O-])C(=O)[O-])O[Ni]1([n]2c3c4[n]1cccc4ccc3ccc2)([OH2])([OH2])[OH2].O.O.O.O.O.O
• Title of publication: (μ-Butane-1,2,3,4-tetracarboxylato)bis[triaqua(1,10-phenanthroline)nickel(II)] hexahydrate
• Authors of publication: Zhu, Hong-lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1537
• a: 9.0382 ± 0.0018 Å
• b: 9.5342 ± 0.0019 Å
• c: 12.253 ± 0.003 Å
• α: 91.9 ± 0.03°
• β: 97.14 ± 0.03°
• γ: 111.54 ± 0.03°
• Cell volume: 971 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0477
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes