Information card for entry 7018362

Structure parameters

• Chemical name: KO0802 Ni-benzoquinoline imine I
• Formula: C35 H30 Cl2 I2 N4 Ni
• Calculated formula: C35 H30 Cl2 I2 N4 Ni
• SMILES: ClCCl.[Ni]12(I)(I)[n]3c(ccc4ccc5ccccc5c34)C=[N]1[C@@H]1CCCC[C@H]1[N]2=Cc1nc2c(cc1)ccc1ccccc21
• 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: 10.3765 ± 0.0012 Å
• b: 24.333 ± 0.003 Å
• c: 13.5813 ± 0.0015 Å
• α: 90°
• β: 104.936 ± 0.005°
• γ: 90°
• Cell volume: 3313.3 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No