Information card for entry 4327718

Structure parameters

• Formula: C60 H56 N14 Ni3 O12
• Calculated formula: C60 H56 N14 Ni3 O12
• SMILES: c1cccc2C=[N]3[Ni]4567[O](c12)[Ni]12([n]8c([N]2=Cc2c([O]41)cccc2)cccc8)([n]1c(N)cccc1)[n]1c(cccc1)[N]6=Cc1c(cccc1)[O]7[Ni]12([n]4c3cccc4)([n]3c([N]1=Cc1c([O]52)cccc1)cccc3)[n]1c(N)cccc1.N(=O)(=O)[O-].OC.N(=O)(=O)[O-].OC
• Title of publication: Trinuclear and mononuclear nickel(II) complexes incorporating tridentate 2-[(pyridine-2-ylimine)methyl]phenol ligand: Syntheses, crystal structures and magnetic properties
• Authors of publication: Ran, J-W; Zhang, S-Y; Hu, B; Xu, B; Li, Y
• Journal of publication: Inorganic Chemistry Communications
• Year of publication: 2008
• Journal volume: 11
• Pages of publication: 1464 - 1477
• a: 11.018 ± 0.005 Å
• b: 15.752 ± 0.007 Å
• c: 16.814 ± 0.007 Å
• α: 90°
• β: 97.406 ± 0.006°
• γ: 90°
• Cell volume: 2894 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1259
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No