Information card for entry 4065748

Structure parameters

• Formula: C53 H60 Co2 O5 P2
• Calculated formula: C53 H60 Co2 O5 P2
• SMILES: [Co]123([Co]4([C]1([C@@]1(O)[C@H](C(C)C)CC[C@@H](C)C1)=[C]24c1ccccc1)([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O].CCCCCC
• 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: 11.3946 ± 0.0009 Å
• b: 11.8811 ± 0.0009 Å
• c: 20.021 ± 0.0016 Å
• α: 76.722 ± 0.002°
• β: 76.484 ± 0.002°
• γ: 64.331 ± 0.001°
• Cell volume: 2349.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No