Information card for entry 8102237

Structure parameters

• Chemical name: triaqua-1,10-phenanthroline-nickel(II) maleate dihydrate
• Formula: C16 H20 N2 Ni O9
• Calculated formula: C16 H20 N2 Ni O9
• SMILES: [Ni]1([OH2])([OH2])([OH2])([n]2c3c4[n]1cccc4ccc3ccc2)OC(=O)/C=C\C(=O)[O-].O.O
• Title of publication: Crystal structure of triaqua-1,10-phenanthroline-nickel(II) maleate dihydrate, Ni(H2O)3(C12H8N2)(C4H2O4) · 2H2O
• Authors of publication: Leonore Wiehl; Jürgen Schreuer; Eiken Haussühl
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 1
• Pages of publication: 82
• a: 8.9383 ± 0.001 Å
• b: 9.3363 ± 0.0009 Å
• c: 13.2143 ± 0.0014 Å
• α: 99.734 ± 0.008°
• β: 100.846 ± 0.009°
• γ: 113.309 ± 0.01°
• Cell volume: 957.7 ± 0.2 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: 0.032
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No