Information card for entry 4337575

Structure parameters

• Formula: C264 H156 N8 O71.33 Ru1.33 Zn12
• Calculated formula: C264.12 H156.64 N8.16 O71.44 Ru1.36 Zn12
• Title of publication: Ruthenium(II) tris(2,2'-bipyridine)-templated zinc(II) 1,3,5-tris(4-carboxyphenyl)benzene metal organic frameworks: structural characterization and photophysical properties.
• Authors of publication: Whittington, Christi L.; Wojtas, Lukasz; Larsen, Randy W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 160 - 166
• a: 17.227 ± 0.0005 Å
• b: 23.5944 ± 0.0008 Å
• c: 23.7271 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9644.1 ± 0.5 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2142
• Weighted residual factors for all reflections included in the refinement: 0.2353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No