Information card for entry 4305838

Structure parameters

• Formula: C54 H30 O13 Zn4
• Calculated formula: C54 H30 O13 Zn4
• Title of publication: Phase Selection and Discovery among Five Assembly Modes in a Coordination Polymerization
• Authors of publication: Stephen R. Caskey; Antek G. Wong-Foy; Adam J. Matzger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7751 - 7756
• a: 13.9578 ± 0.0004 Å
• b: 13.9578 ± 0.0004 Å
• c: 28.7133 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5593.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No