Information card for entry 4501454

Structure parameters

• Formula: C53.33 H52 Co F6 N4 O6.67 S2.67 Sb
• Calculated formula: C53.3333 H52 Co F6 N4 O6.66667 S2.66667 Sb
• Title of publication: Co(III)-Porphyrin-Mediated Highly Regioselective Ring-Opening of Terminal Epoxides with Alcohols and Phenols
• Authors of publication: Venkatasubbaiah, Krishnan; Zhu, Xunjin; Kays, Elizabeth; Hardcastle, Kenneth I.; Jones, Christopher W.
• Journal of publication: ACS Catalysis
• Year of publication: 2011
• Pages of publication: 489
• a: 15.694 ± 0.002 Å
• b: 16.579 ± 0.002 Å
• c: 17.451 ± 0.002 Å
• α: 87.054 ± 0.002°
• β: 88.06 ± 0.002°
• γ: 62.315 ± 0.002°
• Cell volume: 4015.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2154
• Weighted residual factors for all reflections included in the refinement: 0.2639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No