Information card for entry 4076561

Structure parameters

• Formula: C37 H29 Co O4
• Calculated formula: C37 H29 Co O4
• SMILES: [Co]1234567([c]8([cH]1[c]2([cH]3[cH]48)C(=O)OC)C(=O)OC)[C]1(=[C]5([C]6(=[C]71c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Cyclopentadienyl 1,2- and 1,3-Disubstituted Cobalt Sandwich Compounds {η5-[MeOC(O)]2C5H3} Co(η4-C4Ph4): Precursors for Sterically Hindered Bidentate Chiral and Achiral Ligands
• Authors of publication: Singh, Nem; Elias, Anil J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 2059
• a: 10.4396 ± 0.0018 Å
• b: 11.605 ± 0.002 Å
• c: 13.574 ± 0.002 Å
• α: 91.814 ± 0.003°
• β: 102.502 ± 0.003°
• γ: 113.468 ± 0.003°
• Cell volume: 1459.9 ± 0.4 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: 0.0883
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No