Information card for entry 4502750

Structure parameters

• Formula: C55 H55 N9 O11 Zn2
• Calculated formula: C55 H55 N9 O11 Zn2
• Title of publication: Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands
• Authors of publication: Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 99
• a: 24.7304 ± 0.0001 Å
• b: 24.7304 ± 0.0001 Å
• c: 35.59 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21766.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No