Information card for entry 2012614

Structure parameters

• Chemical name: Diaqua-bis(3,4,7,8-Tetramethyl-1,10-phenanthroline-N,N')nickel(II) dinitrate, methanol solvate
• Formula: C33 H40 N6 Ni O9
• Calculated formula: C32.846 H36 N6 Ni O8.846
• Title of publication: Two nickel complexes stabilized by nitrate counter-ions
• Authors of publication: Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: m221 - m224
• a: 11.803 ± 0.001 Å
• b: 25.951 ± 0.002 Å
• c: 12.31 ± 0.001 Å
• α: 90°
• β: 115.31 ± 0.01°
• γ: 90°
• Cell volume: 3408.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No