Information card for entry 7123753

Structure parameters

• Chemical name: P2PCoCONaDME3
• Formula: C43 H71 Co Na O7 P3
• Calculated formula: C43 H71 Co Na O7 P3
• SMILES: C(#[O][Na]12([O](CCOC)C)([O](C)CC[O]1C)[O](C)CC[O]2C)[Co]12[P](c3ccccc3)(c3c([P]1(C(C)C)C(C)C)cccc3)c1c([P]2(C(C)C)C(C)C)cccc1
• Title of publication: O-Functionalization of a Cobalt Carbonyl Generates a Terminal Cobalt Carbyne
• Authors of publication: Deegan, Meaghan M.; Peters, Jonas C.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.1659 ± 0.0004 Å
• b: 16.1007 ± 0.0005 Å
• c: 26.6135 ± 0.0008 Å
• α: 90°
• β: 97.384 ± 0.001°
• γ: 90°
• Cell volume: 4744.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 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: 0.029
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No