Information card for entry 7018367

Structure parameters

• Chemical name: DP-2-70-2 3,3'-bis(naphthoquinoline imine) binaphthyl Ni2 I4
• Formula: C51 H33 Cl9 I4 N4 Ni2
• Calculated formula: C51 H33 Cl9 I4 N4 Ni2
• SMILES: C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Ni]123(I)[I][Ni]4(I)([I]1)[N](c1c(c5c6c(ccc5[N]2=Cc2[n]3c3c(cc2)ccc2ccccc32)cccc6)c2c(cc1)cccc2)=Cc1[n]4c2c(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: 11.6896 ± 0.0008 Å
• b: 22.8266 ± 0.0016 Å
• c: 11.9341 ± 0.0009 Å
• α: 90°
• β: 118.924 ± 0.001°
• γ: 90°
• Cell volume: 2787.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0284
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0613
• 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: No