Information card for entry 4302223

Structure parameters

• Formula: C50 H60 Br4 Cl4 N8 Ni3 O12
• Calculated formula: C50 H60 Br4 Cl4 N8 Ni3 O12
• Title of publication: Zn3, Ni3, and Cu3 Complexes of a Novel Tricompartmental Acyclic Ligand
• Authors of publication: Matilde Fondo; Noelia Ocampo; Ana M. García-Deibe; Jesús Sanmartín
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4971 - 4979
• a: 23.584 ± 0.004 Å
• b: 12.729 ± 0.002 Å
• c: 19.937 ± 0.003 Å
• α: 90°
• β: 93.538 ± 0.003°
• γ: 90°
• Cell volume: 5973.7 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No