Information card for entry 4082420

Structure parameters

• Formula: C29 H21 Co O4
• Calculated formula: C29 H21 Co O4
• SMILES: [Co]1234567([c]8(C(=O)O)[cH]1[cH]2[cH]3[cH]48)[C]1(C(=O)O)=[C]5([C]6(=[C]71c1ccccc1)c1ccccc1)c1ccccc1
• 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: 9.8025 ± 0.0016 Å
• b: 10.5064 ± 0.0017 Å
• c: 12.417 ± 0.002 Å
• α: 81.318 ± 0.003°
• β: 68.052 ± 0.002°
• γ: 78.993 ± 0.003°
• Cell volume: 1159.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0399
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No