Information card for entry 7006459

Structure parameters

• Formula: C30 H36 F12 N6 O P2 Ru
• Calculated formula: C30 H36 F12 N6 O P2 Ru
• SMILES: [Ru]12([n]3ccc(cc3c3[n]1ccc(c3)C)C)([n]1ccccc1c1[n]2cccc1)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC)CC
• 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: 11.1155 ± 0.0003 Å
• b: 18.1355 ± 0.0005 Å
• c: 18.3079 ± 0.0007 Å
• α: 90°
• β: 95.932 ± 0.001°
• γ: 90°
• Cell volume: 3670.8 ± 0.2 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: 0.1455
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No