Information card for entry 4082423

Structure parameters

• Formula: C30 H23 Co O3
• Calculated formula: C30 H23 Co O3
• SMILES: [Co]1234567([c]8([cH]1[cH]2[cH]3[cH]48)C(=O)C)[C]1(=[C]5([C]6(=[C]71c1ccccc1)c1ccccc1)c1ccccc1)C(=O)O
• Title of publication: New Chiral Palladacycles from an Unprecedented Cyclopalladation of Cyclobutadiene-Bound Phenyl Groups of Cobalt Sandwich Compounds
• Authors of publication: Singh, Jatinder; Kumar, Dheeraj; Singh, Nem; Elias, Anil J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 1044
• a: 8.033 ± 0.002 Å
• b: 29.032 ± 0.008 Å
• c: 21.73 ± 0.006 Å
• α: 90°
• β: 92.532 ± 0.006°
• γ: 90°
• Cell volume: 5063 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1145
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1712
• 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