Information card for entry 7239906

Structure parameters

• Chemical name: MMFBr
• Formula: C92.11 H98.73 Br12 N13.5 O3.46 Pd6
• Calculated formula: C92.115 H98.73 Br12 N13.5 O3.454 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: 20.00896 ± 0.00019 Å
• b: 53.1688 ± 0.0005 Å
• c: 14.50409 ± 0.00014 Å
• α: 90°
• β: 88.4818 ± 0.0008°
• γ: 90°
• Cell volume: 15424.8 ± 0.3 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 6
• 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: 0.1125
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2378
• Weighted residual factors for all reflections included in the refinement: 0.2582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No