Information card for entry 1565814

Structure parameters

• Formula: C77 H81.33 Cl4.17 Co2 N8 O1.67
• Calculated formula: C77 H81.3332 Cl4.16667 Co2 N8 O1.66667
• Title of publication: Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand
• Authors of publication: Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L.
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 692 - 697
• a: 31.1312 ± 0.0004 Å
• b: 31.1312 ± 0.0004 Å
• c: 15.5307 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13035.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No