Information card for entry 7239907

Structure parameters

• Chemical name: MMFcore
• Formula: C84 H84 Br3.69 Cl8.31 N12 O2 Pd6
• Calculated formula: C84 H84 Br3.709 Cl8.291 N12 O2 Pd6
• Title of publication: Core-shell metal-macrocycle framework (MMF): spatially selective dye inclusion through core-to-shell anisotropic transport along crystalline 1D-channels connected by epitaxial growth
• Authors of publication: Tashiro, Shohei; Mitsui, Shinya; Burke, David W.; Kubota, Ryoh; Matsushita, Nobuyuki; Shionoya, Mitsuhiko
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 20.23 ± 0.0009 Å
• b: 53.5168 ± 0.0016 Å
• c: 14.3304 ± 0.0003 Å
• α: 90°
• β: 90.516 ± 0.003°
• γ: 90°
• Cell volume: 15514.1 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2528
• Residual factor for significantly intense reflections: 0.1699
• Weighted residual factors for significantly intense reflections: 0.4275
• Weighted residual factors for all reflections included in the refinement: 0.4706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No