Information card for entry 7040660

Structure parameters

• Formula: C38 H42 F6 N2 P2 Ru
• Calculated formula: C38 H42 F6 N2 P2 Ru
• SMILES: [Ru]123456([N](c7ccc(cc7)C)=P(N1c1ccc(cc1)C)(c1ccccc1)c1ccccc1)[c]1([c]3([c]4([c]5([c]6([c]21C)C)C)C)C)C.[P](F)(F)(F)(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: 9.7804 ± 0.0006 Å
• b: 32.185 ± 0.002 Å
• c: 12.035 ± 0.0008 Å
• α: 90°
• β: 107.296 ± 0.001°
• γ: 90°
• Cell volume: 3617.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No