Information card for entry 7010171

Structure parameters

• Formula: ?
• Calculated formula: C208 H224 Br16 Cu8 N32 O40
• Title of publication: Macrocyclic effect upon site-selective CuIIMII or MIICuII core formation with unsymmetric phenol-based macrocyclic ligands
• Authors of publication: Yonemura, Masami; Usuki, Naoki; Nakamura, Yuuki; Ohba, Masaaki; Ōkawa, Hisashi
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 3624
• a: 23.676 ± 0.006 Å
• b: 27.32 ± 0.01 Å
• c: 8.951 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5790 ± 6 ų
• Cell temperature: 23 K
• Ambient diffraction temperature: 23 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 3.24
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No