Information card for entry 7031782

Structure parameters

• Formula: C36 H36 Cl N O P2 Ru
• Calculated formula: C36 H36 Cl N O P2 Ru
• SMILES: [RuH]12(Cl)([P](CC[N]2(CC[P]1(c1ccccc1)c1ccccc1)Cc1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Contrasting reactivity behaviour of the [RuHCl(CO)(PNP)] complex with electrophilic reagents XOTf (X = H, CH3, Me3Si).
• Authors of publication: Ramaraj, A.; Nethaji, Munirathinam; Jagirdar, Balaji R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14625 - 14635
• a: 29.3801 ± 0.0018 Å
• b: 12.5765 ± 0.0008 Å
• c: 33.827 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12499 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No