Information card for entry 7243908

Structure parameters

• Formula: C108 H84 N18 O38 Zn3
• Calculated formula: C108 H84 N17.991 O37.973 Zn3
• Title of publication: Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode
• Authors of publication: Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 48
• Pages of publication: 8546 - 8552
• a: 15.1763 ± 0.0005 Å
• b: 15.1763 ± 0.0005 Å
• c: 84.264 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16807.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.1654
• Residual factor for significantly intense reflections: 0.1409
• Weighted residual factors for significantly intense reflections: 0.3414
• Weighted residual factors for all reflections included in the refinement: 0.3564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No