Information card for entry 4065749

Structure parameters

• Formula: C41 H38 Co Fe O5 P
• Calculated formula: C41 H38 Co Fe O5 P
• SMILES: [Co]12([Fe]3([C]1([C@@H]1[C@H](C(C)C)CC[C@@H](C)C1)=[C]23c1ccccc1)(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Alkynyl-Dicobalt Hexacarbonyl Complexes of Menthyl Cations: Isolobal Substitution of [Co(CO)3]+by Fe(CO)3as a Structural Model†
• Authors of publication: Moore, Angela; Ortin, Yannick; Müller-Bunz, Helge; McGlinchey, Michael J.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4882
• a: 9.6326 ± 0.001 Å
• b: 13.7749 ± 0.0014 Å
• c: 13.8541 ± 0.0014 Å
• α: 92.937 ± 0.002°
• β: 95.426 ± 0.002°
• γ: 95.175 ± 0.002°
• Cell volume: 1819.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No