Information card for entry 7108247

Structure parameters

• Formula: C54.5 H60.5 O2
• Calculated formula: C50 H50 O2
• SMILES: O=C(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[C@@H]1C(=C2c3c(c(ccc3)c3c(cc(cc3C)C)C)C(=O)[C@]2(C=C1C)C)C.O=C(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[C@H]1C(=C2c3c(c(ccc3)c3c(cc(cc3C)C)C)C(=O)[C@@]2(C=C1C)C)C
• Title of publication: Low-coordinate cobalt(II) terphenyl complexes: precursors to sterically encumbered ketones
• Authors of publication: Benjamin M. Gridley; Alexander J. Blake; Adrienne L. Davis; William Lewis; Graeme J. Moxey; Deborah L. Kays
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8910
• a: 12.8018 ± 0.0009 Å
• b: 13.2388 ± 0.0009 Å
• c: 13.6583 ± 0.001 Å
• α: 84.232 ± 0.001°
• β: 76.587 ± 0.001°
• γ: 80.784 ± 0.001°
• Cell volume: 2217.8 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No