Information card for entry 4072303

Structure parameters

• Formula: C51 H59 N P2 Ru
• Calculated formula: C51 H59 N P2 Ru
• SMILES: [Ru]12345([P]([C-]6C(=Cc7c6cccc7)N(C=5)C)(C(C)C)C(C)C)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C.c1ccccc1
• Title of publication: Indenyl Hemilability: Unveiling a Masked (η5-C5Me5)Ru(κ2-P,Carbene) Zwitterion Via Facile and Reversible Ru−C(sp3) Bond Cleavage
• Authors of publication: Rankin, Matthew A.; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6286
• a: 15.986 ± 0.0002 Å
• b: 22.708 ± 0.0004 Å
• c: 23.811 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8643.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0647
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No