Information card for entry 4066231

Structure parameters

• Formula: C16 H36 Co2 O4 P4
• Calculated formula: C16 H36 Co2 O4 P4
• SMILES: [Co]12([Co]([P](C)(C)C)([P](C)(C)C)(C1=O)(C2=O)C#[O])([P](C)(C)C)([P](C)(C)C)C#[O]
• Title of publication: Synthesis, Structure, Spectroscopy, and Reactivity of Oxapentadienyl−Cobalt−Phosphine Complexes†,(1)
• Authors of publication: Bleeke, John R.; Lutes, Bryn L.; Lipschutz, Michael; Sakellariou-Thompson, Donastas; Lee, John Seonghyun; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5057
• a: 10.972 ± 0.0009 Å
• b: 13.2483 ± 0.0011 Å
• c: 18.019 ± 0.0015 Å
• α: 90°
• β: 107.156 ± 0.004°
• γ: 90°
• Cell volume: 2502.7 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0772
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1345
• 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