Information card for entry 4509902

Structure parameters

• Formula: C168 H96 N12 O79 P12 Zn11
• Calculated formula: C168 H96 N12 O79 P12 Zn11
• Title of publication: Luminescent Response of One Anionic Metal‒Organic Framework Based on Novel Octa-nuclear Zinc Cluster to Exchanged Cations
• Authors of publication: Li, Bao; Chen, Xi; Yu, Fan; Yu, Wenjing; Zhang, Tianle; Sun, Di
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 410
• a: 34.0012 ± 0.003 Å
• b: 34.0012 ± 0.003 Å
• c: 154.0023 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 154186 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.2588
• Residual factor for significantly intense reflections: 0.1401
• Weighted residual factors for significantly intense reflections: 0.351
• Weighted residual factors for all reflections included in the refinement: 0.4341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No