Information card for entry 7239017

Structure parameters

• Formula: C71 H47 Cl2 N17 O8 Ru2
• Calculated formula: C71 H47 Cl2 N17 O8 Ru2
• Title of publication: Synthesis, structural characterization and anion-, cation- and solvent-induced tuning of photophysical properties of a bimetallic Ru(ii) complex: combined experimental and DFT/TDDFT investigation
• Authors of publication: Saha, Debasish; Das, Shyamal; Karmakar, Srikanta; Dutta, Supriya; Baitalik, Sujoy
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 38
• Pages of publication: 17314
• a: 25.197 ± 0.005 Å
• b: 12.849 ± 0.005 Å
• c: 25.351 ± 0.005 Å
• α: 90 ± 0.005°
• β: 105.04 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7926 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No