Information card for entry 4306491

Structure parameters

• Chemical name: {κ^4^ C,C',C'',P-trihapto-3-Benzhydrylidene-4-diisopropylphosphanylamino- 1-diisopropylphosphanyl-pyrrolidine-2-yl}-(pentahapto-pentamethyl- cyclopentadienyl)-ruthenium (II)
• Formula: C39 H58 N2 P2 Ru
• Calculated formula: C39 H58 N2 P2 Ru
• SMILES: [Ru]1234567([P](NC8[C]6(=[CH]5N(P(C(C)C)C(C)C)C8)C7(c5ccccc5)c5ccccc5)(C(C)C)C(C)C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Formation of a Coordinated 2-Aminoethylidene Ligand and Its Rearrangement by Deprotonation into a Phosphinoallyl Ligand Containing a Pyrrolidin-2-yl Ring
• Authors of publication: M. Carmen Puerta; Pedro Valerga; M. Dolores Palacios
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8598 - 8600
• a: 10.3935 ± 0.0007 Å
• b: 14.4955 ± 0.001 Å
• c: 24.1928 ± 0.0017 Å
• α: 90°
• β: 93.251 ± 0.001°
• γ: 90°
• Cell volume: 3639 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No