Information card for entry 7010172

Structure parameters

• Formula: ?
• Calculated formula: C52 H70 Br4 Cl4 Cu2 N10 Ni2 O24
• 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: 11.124 ± 0.003 Å
• b: 16.144 ± 0.004 Å
• c: 11.082 ± 0.004 Å
• α: 109.15 ± 0.02°
• β: 105.59 ± 0.03°
• γ: 93.44 ± 0.03°
• Cell volume: 1786.7 ± 1 ų
• Cell temperature: 23 K
• Ambient diffraction temperature: 23 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.067
• Goodness-of-fit parameter for significantly intense reflections: 4.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No