Information card for entry 7040663

Structure parameters

• Formula: C26 H34 Cl N2 P Ru
• Calculated formula: C26 H34 Cl N2 P Ru
• SMILES: [Ru]123456(Cl)([N](C)=P(N1C)(c1ccccc1)c1ccccc1)[c]1([c]3([c]4([c]5([c]6([c]21C)C)C)C)C)C
• 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: 8.8288 ± 0.0013 Å
• b: 8.855 ± 0.0013 Å
• c: 16.886 ± 0.003 Å
• α: 87.525 ± 0.003°
• β: 79.413 ± 0.002°
• γ: 68.626 ± 0.002°
• Cell volume: 1208 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No