Information card for entry 4502507

Structure parameters

• Formula: C1548 H2396 O756 S234 Zn98
• Calculated formula: C1188 H864 O372 S54 Zn98
• Title of publication: Metal−Organic Framework Based on [Zn4O(COO)6] Clusters: Rare 3D Kagomé Topology and Luminescence
• Authors of publication: Yue, Qi; Sun, Qian; Cheng, Ai-Ling; Gao, En-Qing
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 44
• a: 33.3586 ± 0.0018 Å
• b: 33.3586 ± 0.0018 Å
• c: 67.839 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 65377 ± 7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1966
• Residual factor for significantly intense reflections: 0.1195
• Weighted residual factors for significantly intense reflections: 0.3079
• Weighted residual factors for all reflections included in the refinement: 0.3652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No