Information card for entry 2200656

Structure parameters

• Chemical name: Heptacarbonyl-κ^3^C,2κ^4^C-{μ-dicyclohexyl[(η^5^)-cyclopentadienyl]- phosphine-2κP}molybdenumrhenium(Mo—Re)
• Formula: C24 H26 Mo O7 P Re
• Calculated formula: C24 H26 Mo O7 P Re
• SMILES: [Re]([P](C1CCCCC1)(C1CCCCC1)[c]12[Mo]([cH]13)([cH]21)([cH]12)([cH]23)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Heptacarbonyl-κ^3^<i>C</i>,2κ^4^<i>C</i>-{μ-dicyclohexyl[1(η^5^)-cyclopentadienyl]phosphine-2κ<i>P</i>}molybdenumrhenium(<i>Mo</i>‒<i>Re</i>)
• Authors of publication: Flörke, Ulrich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: m424 - m425
• a: 14.173 ± 0.002 Å
• b: 11.146 ± 0.002 Å
• c: 16.571 ± 0.003 Å
• α: 90°
• β: 93.82 ± 0.01°
• γ: 90°
• Cell volume: 2611.9 ± 0.8 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: 0.0902
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes