Information card for entry 4304514

Structure parameters

• Chemical name: AL-4-26/NiI2-R
• Formula: C28 H34 N4 Ni O6
• Calculated formula: C28 H34 N4 Ni O6
• SMILES: [Ni]1234([N]([C@H]5[C@H]([NH2]1)CCCC5)=Cc1c(c(C(=O)O)ccc1)O2)[N]([C@H]1[C@H]([NH2]3)CCCC1)=Cc1c(c(C(=O)O)ccc1)O4
• Title of publication: Double-Stranded Monohelical Complexes from an Unsymmetrical Chiral Schiff-Base Ligand
• Authors of publication: Azadeh Lalehzari; John Desper; Christopher J. Levy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1120 - 1126
• a: 8.8514 ± 0.0006 Å
• b: 12.5256 ± 0.0009 Å
• c: 12.1886 ± 0.0009 Å
• α: 90°
• β: 94.563 ± 0.001°
• γ: 90°
• Cell volume: 1347.06 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No