Information card for entry 7106339

Structure parameters

• Formula: C20 H25 Co O3
• Calculated formula: C20 H25 Co O3
• SMILES: [Co]1234567([C]8(=[C]1(C)[C]2(=[C]38C)C)C)[cH]1[cH]4[cH]5[cH]6[c]71C(=O)CCCOC(=O)C=C
• Title of publication: Side chain Co(I) polymers featuring acrylate functionalized neutral 18 electron CpCo(C4R4) (R = Ph, Me) units
• Authors of publication: Preeti Chadha; Paul J. Ragogna
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5301
• a: 8.3122 ± 0.0004 Å
• b: 10.911 ± 0.0005 Å
• c: 11.2874 ± 0.0005 Å
• α: 82.551 ± 0.002°
• β: 68.949 ± 0.002°
• γ: 75.849 ± 0.003°
• Cell volume: 925.4 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No