Information card for entry 7014773

Structure parameters

• Formula: C92 H110 B2 Cl2 N14 P2 Ru2
• Calculated formula: C92 H110 B2 Cl2 N14 P2 Ru2
• SMILES: [Ru]12([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)(Cl)([H][B](n3c4[n]1cccc4cc3)(n1c3[n]2cccc3cc1)n1c2ncccc2cc1)=Cc1ccccc1.[Ru]12([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)(Cl)([H][B](n3c4[n]1cccc4cc3)(n1c3[n]2cccc3cc1)n1c2ncccc2cc1)[n]1cccc2c1[nH]cc2
• Title of publication: Strong agostic-type interactions in ruthenium benzylidene complexes containing 7-azaindole based scorpionate ligands.
• Authors of publication: Tsoureas, Nikolaos; Nunn, Joshua; Bevis, Thomas; Haddow, Mairi F.; Hamilton, Alex; Owen, Gareth R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 951 - 958
• a: 14.0305 ± 0.0006 Å
• b: 17.8271 ± 0.0007 Å
• c: 21.7559 ± 0.0008 Å
• α: 66.035 ± 0.002°
• β: 71.542 ± 0.003°
• γ: 80.82 ± 0.003°
• Cell volume: 4713.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1368
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.225
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No