Information card for entry 4334530

Structure parameters

• Formula: C59 H45 N O3 P2 Ru
• Calculated formula: C59 H45 N O3 P2 Ru
• SMILES: [Ru]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([O]=C(O1)c1ccncc1)(/C(=C/c1ccccc1)C#Cc1ccccc1)C#[O]
• Title of publication: Multimetallic Complexes and Functionalized Nanoparticles Based on Oxygen- and Nitrogen-Donor Combinations
• Authors of publication: Saira Naeem; Angela Ribes; Andrew J. P. White; Mohammed N. Haque; Katherine B. Holt; James D. E. T. Wilton-Ely
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4700 - 4713
• a: 18.67558 ± 0.00018 Å
• b: 13.24963 ± 0.00015 Å
• c: 19.20324 ± 0.00019 Å
• α: 90°
• β: 95.213 ± 0.0009°
• γ: 90°
• Cell volume: 4732.08 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No