Information card for entry 7716024

Structure parameters

• Formula: C112 H132 Cl4 N12 Ni2 O30
• Calculated formula: C112 H124 Cl4 N12 Ni2 O30
• Title of publication: Self-assembly of Ni(II) with a chiral ligand pair <i>vs</i>. mixture of the chiral ligand pair: structural features and recognition ability of Ni₂L₄ cages.
• Authors of publication: Han, Jihun; Back, Hyo Jeong; Hossain, Mohammad M.; Jung, Ok-Sang; Lee, Young-A
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 8934 - 8939
• a: 30.615 ± 0.006 Å
• b: 15.581 ± 0.002 Å
• c: 23.797 ± 0.004 Å
• α: 90°
• β: 90.285 ± 0.007°
• γ: 90°
• Cell volume: 11351 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1977
• Residual factor for significantly intense reflections: 0.1322
• Weighted residual factors for significantly intense reflections: 0.3524
• Weighted residual factors for all reflections included in the refinement: 0.4158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No