Information card for entry 2227384

Structure parameters

• Chemical name: Bis(di-2-pyridylmethanediol-κ^3^<i>N</i>,<i>O</i>,<i>N</i>')nickel(II) dibenzoate
• Formula: C36 H30 N4 Ni O8
• Calculated formula: C36 H30 N4 Ni O8
• SMILES: c1cccc2C3(c4cccc[n]4[Ni]45([n]12)([OH]3)[n]1ccccc1C(c1cccc[n]41)([OH]5)O)O.C(=O)(c1ccccc1)[O-].C(=O)(c1ccccc1)[O-]
• Title of publication: Bis(di-2-pyridylmethanediol-κ^3^<i>N</i>,<i>O</i>,<i>N</i>')nickel(II) dibenzoate
• Authors of publication: Kim, Jin Hoon; Kim, Du-Hyun; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1281 - m1282
• a: 24.065 ± 0.008 Å
• b: 8.681 ± 0.003 Å
• c: 17.718 ± 0.006 Å
• α: 90°
• β: 123.526 ± 0.005°
• γ: 90°
• Cell volume: 3085.6 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes