Information card for entry 7023684

Structure parameters

• Formula: C61 H48 F6 N3 O P3 Ru
• Calculated formula: C61 H48 F6 N3 O P3 Ru
• SMILES: c12ccccc1C=[N]1[Ru]3(O2)([n]2ccccc2C(c2ccccc2)=[N]3c2c1cccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Zinc(ii), iron(ii/iii) and ruthenium(ii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence.
• Authors of publication: Chaudhuri, Satyabrata; Patra, Sarat Chandra; Saha, Pinaki; Saha Roy, Amit; Maity, Suvendu; Bera, Sachinath; Saha Sardar, Pinki; Ghosh, Sanjib; Weyhermüller, Thomas; Ghosh, Prasanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 42
• Pages of publication: 15028 - 15042
• a: 26.0925 ± 0.0012 Å
• b: 14.8744 ± 0.001 Å
• c: 13.09 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5080.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No