Information card for entry 7018363

Structure parameters

• Chemical name: DP-2-74-1 quinoline cyclohexane imine Ni2 I4
• Formula: C32 H36 I2 N4 Ni
• Calculated formula: C32 H36 I2 N4 Ni
• SMILES: [Ni]12(I)(I)[n]3c(ccc4cccc(c34)C(C)C)C=[N]1[C@H]1[C@H]([N]2=Cc2nc3c(cc2)cccc3C(C)C)CCCC1
• Title of publication: Mono- and dinuclear nickel(ii) complexes of resolved Schiff-base ligands with extended quinoline substituents.
• Authors of publication: Prema, Dipesh; Oshin, Kayode; Desper, John; Levy, Christopher J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 16
• Pages of publication: 4998 - 5009
• a: 14.9311 ± 0.0017 Å
• b: 8.6427 ± 0.0009 Å
• c: 25.05 ± 0.003 Å
• α: 90°
• β: 103.466 ± 0.008°
• γ: 90°
• Cell volume: 3143.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1301
• Residual factor for significantly intense reflections: 0.1131
• Weighted residual factors for significantly intense reflections: 0.2956
• Weighted residual factors for all reflections included in the refinement: 0.3052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No