Information card for entry 2221811

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[di-μ~2~hydroxido-bis[(di-2-pyridylamine)nickel(II)]]-μ- fumarato] dihydrate]
• Formula: C24 H26 N6 Ni2 O8
• Calculated formula: C24 H26 N6 Ni2 O8
• SMILES: [Ni]12([OH][Ni]3(OC(=O)/C=C/C(=O)[O-])([OH]1)[n]1ccccc1Nc1[n]3cccc1)([n]1c(Nc3[n]2cccc3)cccc1)OC(=O)/C=C/C(=O)O[Ni]12([n]3ccccc3Nc3[n]2cccc3)[OH][Ni]2([OH]1)[n]1ccccc1Nc1[n]2cccc1.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[di-μ~2~-hydroxido-bis[(di-2-pyridylamine)nickel(II)]]-μ-fumarato] dihydrate]
• Authors of publication: Yu, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m535 - m536
• a: 8.135 ± 0.002 Å
• b: 8.834 ± 0.003 Å
• c: 10.015 ± 0.003 Å
• α: 70.545 ± 0.004°
• β: 71.103 ± 0.004°
• γ: 75.785 ± 0.004°
• Cell volume: 634.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0267
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes