Information card for entry 7041554

Structure parameters

• Formula: C52 H52 B F4 N8 O2 Ru2
• Calculated formula: C44 H36 B F4 N8 Ru2
• SMILES: [Ru]1234([Ru](N(c5[n]1cccc5)c1ccccc1)(N(c1[n]2cccc1)c1ccccc1)(N(c1[n]3cccc1)c1ccccc1)N(c1[n]4cccc1)c1ccccc1)[F]B(F)(F)F
• Title of publication: Anilinopyridinate-supported Ru2(x+) (x = 5 or 6) paddlewheel complexes with labile axial ligands.
• Authors of publication: Corcos, Amanda R.; Berry, John F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 5532 - 5539
• a: 9.9326 ± 0.0002 Å
• b: 13.457 ± 0.0003 Å
• c: 19.0672 ± 0.0004 Å
• α: 74.8283 ± 0.0011°
• β: 79.4934 ± 0.0012°
• γ: 87.8322 ± 0.0011°
• Cell volume: 2418.38 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0421
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No