Information card for entry 7006458

Structure parameters

• Formula: C32 H28 F6 N11 O P Ru
• Calculated formula: C32 H26 F6 N11 O P Ru
• SMILES: [Ru]123([n]4ccc(cc4c4[n]1ccc(c4)C)C)([n]1ccccc1c1[n]2cccc1)[n]1ccncc1c1n3nc(n1)c1nccnc1.[P](F)(F)(F)(F)(F)[F-].O
• Title of publication: Synthesis of mononuclear and dinuclear ruthenium(II) tris(heteroleptic) complexes via photosubstitution in bis(carbonyl) precursors.
• Authors of publication: Mulhern, Declan; Brooker, Sally; Görls, Helmar; Rau, Sven; Vos, Johannes G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 51 - 57
• a: 16.2156 ± 0.0004 Å
• b: 13.8572 ± 0.0004 Å
• c: 14.8161 ± 0.0004 Å
• α: 90°
• β: 92.117 ± 0.002°
• γ: 90°
• Cell volume: 3326.95 ± 0.16 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No