Information card for entry 7040664

Structure parameters

• Formula: C58 H46 B F24 N2 P Ru
• Calculated formula: C58 H46 B F24 N2 P Ru
• SMILES: [Ru]123456([N](C)=P(N1C)(c1ccccc1)c1ccccc1)[c]1([c]2([c]6([c]5([c]4([c]31C)C)C)C)C)C.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: The half-sandwich 18- and 16-electron arene ruthenium iminophosphonamide complexes.
• Authors of publication: Peganova, Tat'yana A.; Sinopalnikova, Iana S.; Peregudov, Alexander S.; Fedyanin, Ivan V.; Demonceau, Albert; Ustynyuk, Nikolai A.; Kalsin, Alexander M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 17030 - 17041
• a: 12.2605 ± 0.0008 Å
• b: 28.9349 ± 0.0015 Å
• c: 17.1266 ± 0.001 Å
• α: 90°
• β: 108.197 ± 0.002°
• γ: 90°
• Cell volume: 5771.9 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1344
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No