Information card for entry 7108051

Structure parameters

• Formula: C48 H116 N36 Ni4 O40
• Calculated formula: C48 H108 N36 Ni4 O40
• Title of publication: Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli
• Authors of publication: Ryosuke Miyake; Mitsuhiko Shionoya
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7553
• a: 15.47 ± 0.003 Å
• b: 15.47 ± 0.003 Å
• c: 19.437 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4652 ± 2 ų
• Cell temperature: 313 K
• Ambient diffraction temperature: 313 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1807
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No