Information card for entry 4076787

Structure parameters

• Chemical name: nonacarbonyltri-μ-hydrido-μ~3~-hydrido(triphenylphosphine) [(triphenylphosphine)copper]trirhenium
• Formula: C45 H34 Cu O9 P2 Re3
• Calculated formula: C45 H34 Cu O9 P2 Re3
• SMILES: [Re]123([Re]4([H][Re]([H]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])([Cu]2([H]34)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis, Solid-State Structure and Solution Behavior of Hydrido-Bridged Adducts between the Group 11 [M(PPh3)]+Cations and the Triangular Cluster Anion [Re3(μ-H)4(CO)9(PPh3)]-
• Authors of publication: Beringhelli, Tiziana; D'Alfonso, Giuseppe; Garavaglia, Maria Grazia; Panigati, Monica; Mercandelli, Pierluigi; Sironi, Angelo
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 13
• Pages of publication: 2705
• a: 9.317 ± 0.005 Å
• b: 28.035 ± 0.009 Å
• c: 17.556 ± 0.007 Å
• α: 90°
• β: 96.91 ± 0.04°
• γ: 90°
• Cell volume: 4552 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No