Information card for entry 1565446

Structure parameters

• Formula: C42 H38 N O8 P2 Ru
• Calculated formula: C42 H38 N O8 P2 Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(OC(=O)C(=O)O1)OC(=O)C(=O)O2.[NH2+](C)C
• Title of publication: Synthesis, structure and electrochemistry of ruthenium(II) and (III) mono- and bis-oxalato complexes
• Authors of publication: Elnajjar, Fawzia O.; Wang, Ruiyao; Aquino, Manuel A.S.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119388
• a: 10.0797 ± 0.0006 Å
• b: 18.5156 ± 0.0011 Å
• c: 20.6491 ± 0.0012 Å
• α: 90°
• β: 91.271 ± 0.001°
• γ: 90°
• Cell volume: 3852.8 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No