Information card for entry 4337368

Structure parameters

• Formula: C55 H0 Ir N8 O10 Zn2
• Calculated formula: C55.2159 Ir1.0002 N4.0008 O10 Zn2
• 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: 18.3559 ± 0.0014 Å
• b: 26.314 ± 0.002 Å
• c: 42.406 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20483 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1736
• Residual factor for significantly intense reflections: 0.1256
• Weighted residual factors for significantly intense reflections: 0.3232
• Weighted residual factors for all reflections included in the refinement: 0.3568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No