Information card for entry 7707321

Structure parameters

• Formula: C48 H39 Cl5 N4 O2 P2 Ru
• Calculated formula: C48 H39 Cl5 N4 O2 P2 Ru
• SMILES: c12N[Ru](Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(Cl)(N(c2cccc1)c1ncc(N(=O)=O)cc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl
• Title of publication: Mixed-valence di-ruthenium(II,III) complexes of redox non-innocent <i>N</i>-aryl-<i>o</i>-phenylenediamine derivatives.
• Authors of publication: Dutta, Debarpan; Maity, Suvendu; Kundu, Suman; Ghosh, Prasanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 22
• Pages of publication: 7791 - 7803
• a: 10.5528 ± 0.0003 Å
• b: 13.5142 ± 0.0004 Å
• c: 18.0956 ± 0.0006 Å
• α: 79.778 ± 0.001°
• β: 73.147 ± 0.001°
• γ: 69.468 ± 0.001°
• Cell volume: 2304.65 ± 0.12 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No