Information card for entry 7716322

Structure parameters

• Formula: C135 H174 Cl6 N12 Ni3 O61
• Calculated formula: C119 H110 Cl6 N12 Ni3 O57
• Title of publication: M(II) effect on encapsulation of guests into a series of M₃L₂ chiral cages: enantio-recognition.
• Authors of publication: Kim, Dongwon; Kim, Gyeongmin; Kim, Gyeongwoo; Park, Junmyeong; Han, Jihun; Hossain, Mohammad Mozammal; Jung, Ok-Sang; Lee, Young-A
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 25
• Pages of publication: 10704 - 10711
• a: 23.225 ± 0.005 Å
• b: 24.677 ± 0.005 Å
• c: 14.453 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8283 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.2203
• Weighted residual factors for all reflections included in the refinement: 0.2253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No