Information card for entry 1565817

Structure parameters

• Formula: C152 H152 N16 Pd4
• Calculated formula: C152 H152 N16 Pd4
• 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: 11.694 ± 0.0004 Å
• b: 20.7153 ± 0.0006 Å
• c: 27.718 ± 0.0009 Å
• α: 68.59 ± 0.001°
• β: 89.019 ± 0.002°
• γ: 82.809 ± 0.002°
• Cell volume: 6199 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0578
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No