Information card for entry 4337367

Structure parameters

• Formula: C30 Ir3 N18 O13 Zn4
• Calculated formula: C30 Ir3 N18.12 O13 Zn4
• Title of publication: Functional Metal-Organic Frameworks via Ligand Doping: Influences of Ligand Charge and Steric Demand.
• Authors of publication: Wang, Cheng; Liu, Demin; Xie, Zhigang; Lin, Wenbin
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1331 - 1338
• a: 34.0239 ± 0.0015 Å
• b: 34.0239 ± 0.0015 Å
• c: 34.0239 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 39387 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.1802
• Residual factor for significantly intense reflections: 0.1464
• Weighted residual factors for significantly intense reflections: 0.422
• Weighted residual factors for all reflections included in the refinement: 0.4455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.639
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No