Information card for entry 7108048

Structure parameters

• Formula: C48 H130 N36 Ni4 O47
• Calculated formula: C48 H108 N36 Ni4 O47
• 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: 15.54 ± 0.0016 Å
• b: 15.54 ± 0.0016 Å
• c: 19.493 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4707.4 ± 1.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1256
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No