Information card for entry 7033929

Structure parameters

• Formula: C76 H57.99 N8 O22.16 Ru Zn4
• Calculated formula: C76 H58 N8 O22.148 Ru Zn4
• Title of publication: A new photoactive Ru(ii)tris(2,2'-bipyridine) templated Zn(ii) benzene-1,4-dicarboxylate metal organic framework: structure and photophysical properties.
• Authors of publication: Whittington, Christi L.; Wojtas, Lukasz; Gao, Wen-Yang; Ma, Shengqian; Larsen, Randy W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5331 - 5337
• a: 11.7838 ± 0.0004 Å
• b: 12.3757 ± 0.0004 Å
• c: 13.6009 ± 0.0004 Å
• α: 95.7503 ± 0.0012°
• β: 93.7677 ± 0.0011°
• γ: 109.033 ± 0.0009°
• Cell volume: 1855.35 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No