Information card for entry 4302226

Structure parameters

• Formula: C41 H42 Br4 Cl4 Cu3 N6 O7
• Calculated formula: C41 H42 Br4 Cl4 Cu3 N6 O7
• 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: 11.698 ± 0.002 Å
• b: 15.583 ± 0.003 Å
• c: 16.119 ± 0.003 Å
• α: 62.348 ± 0.002°
• β: 72.6 ± 0.003°
• γ: 75.99 ± 0.003°
• Cell volume: 2465 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No