Information card for entry 1548916

Structure parameters

• Formula: C100 H17.5 Mn3.5 N10 O24
• Calculated formula: C100 H35 Mn3.5 N10 O24
• Title of publication: Nanopore-induced host-guest charge transfer phenomena in a metal-organic framework.
• Authors of publication: Yamamoto, S.; Pirillo, J.; Hijikata, Y.; Zhang, Z.; Awaga, K.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 13
• Pages of publication: 3282 - 3289
• a: 14.639 Å
• b: 16.743 Å
• c: 20.551 Å
• α: 100.913°
• β: 106.78°
• γ: 100.119°
• Cell volume: 4591.03 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2574
• Weighted residual factors for all reflections included in the refinement: 0.2772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.75 Å
• Diffraction radiation type: synchrotronradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No