Information card for entry 4307956

Structure parameters

• Formula: C50 H92 Cl4 Cu4.94 N4 O30 Zn7.06
• Calculated formula: C50 H92 Cl4 Cu4.94 N4 O30 Zn7.06
• Title of publication: Heterobimetallic Molecular Cages for the Deposition of Cu/Ti and Cu/Zn Mixed-Metal Oxides
• Authors of publication: Mazhar Hamid; Asif A. Tahir; Muhammad Mazhar; Matthias Zeller; Allen D. Hunter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4120 - 4127
• a: 15.2973 ± 0.0008 Å
• b: 17.8935 ± 0.0009 Å
• c: 15.398 ± 0.0008 Å
• α: 90°
• β: 113.728 ± 0.001°
• γ: 90°
• Cell volume: 3858.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0277
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No