Information card for entry 4337574

Structure parameters

• Formula: C249 H159 F2 N12 O65.25 P Ru2 Zn12
• Calculated formula: C241.86 H154.188 F2.04 N11.586 O65.25 P1.02 Ru2 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: 29.151 ± 0.003 Å
• b: 29.151 ± 0.003 Å
• c: 24.933 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18349 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No