Information card for entry 7043996

Structure parameters

• Formula: C46 H32.68 Cd2 Cl2 N6 O8.34 Ru
• Calculated formula: C46 H32 Cd2 Cl2 N6 O8.34 Ru
• Title of publication: Novel Photo-Active Cd:1,4-Benzene Dicarboxylate Metal Organic Framework Templated by [Ru(II)(2,2’-bipyridine)3]2+: Synthesis and Photophysics of RWLC-5
• Authors of publication: Larsen, Randy W.; Mayers, Jacob M.; Wojtas, Lukasz
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 18.4093 ± 0.0005 Å
• b: 16.6908 ± 0.0004 Å
• c: 14.8012 ± 0.0004 Å
• α: 90°
• β: 111.104 ± 0.0008°
• γ: 90°
• Cell volume: 4242.86 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0624
• 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: No
• Has Fobs: No