Information card for entry 7016719

Structure parameters

• Formula: C48 H41 N3 P2 Ru
• Calculated formula: C48 H41 N3 P2 Ru
• SMILES: [RuH]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3ccccc3C=N1=Cc1[n]2cccc1
• Title of publication: From amine to ruthenaziridine to azaallyl: unusual transformation of di-(2-pyridylmethyl)amine on ruthenium.
• Authors of publication: Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10603 - 10608
• a: 11.5061 ± 0.0003 Å
• b: 11.7305 ± 0.0003 Å
• c: 16.1489 ± 0.0003 Å
• α: 88.632 ± 0.0013°
• β: 78.804 ± 0.0013°
• γ: 83.233 ± 0.0012°
• Cell volume: 2123.28 ± 0.09 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No