Information card for entry 4321023

Structure parameters

• Formula: C58 H74.5 N4 Ni O4.25
• Calculated formula: C58 H74.5 N4 Ni O4.25
• Title of publication: Synthesis, Characterization, and Structure of Macrocyclic Mono- and C2-Symmetric, Binuclear Nickel Calixsalen Complexes
• Authors of publication: Zengmin Li; Chet Jablonski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2456 - 2461
• a: 18.2566 ± 0.0002 Å
• b: 18.2566 ± 0.0002 Å
• c: 15.9244 ± 0.0002 Å
• α: 90 ± 0.0008°
• β: 90 ± 0.0005°
• γ: 120 ± 0.0001°
• Cell volume: 4596.57 ± 0.09 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 213.2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No