Information card for entry 4301686

Structure parameters

• Formula: C57 H61 Cl2 N4 Ni3 O9
• Calculated formula: C57 H61 Cl2 N4 Ni3 O9
• SMILES: C(Cl)Cl.c12ccccc1C=[N]1CC[C@H](CC)[N]3=Cc4ccccc4[O]4[Ni]513([O]2[Ni]124([O]3c4ccccc4C=[N]4CC[C@@H](CC)[N]6=Cc7ccccc7[O]1[Ni]346[O]=C(Cc1ccccc1)O2)OC(Cc1ccccc1)=[O]5)[OH]CC
• Title of publication: Solvent-Assisted Formation of Vesicles by a Self-Assembling Ni3-Schiff Base Complex
• Authors of publication: Pampa Mukherjee; Michael G. B. Drew; Ashutosh Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2364 - 2370
• a: 16.5093 ± 0.0014 Å
• b: 15.8514 ± 0.001 Å
• c: 20.5452 ± 0.0019 Å
• α: 90°
• β: 91.135 ± 0.008°
• γ: 90°
• Cell volume: 5375.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2639
• Residual factor for significantly intense reflections: 0.1328
• Weighted residual factors for significantly intense reflections: 0.2057
• Weighted residual factors for all reflections included in the refinement: 0.2491
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No