Information card for entry 1548915

Structure parameters

• Formula: C78 H58 Mn3.5 N4 O24 S10
• Calculated formula: C83 H58 Mn3.5 N3 O24 S10
• 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: 14.38 Å
• b: 15.3958 Å
• c: 21.7726 Å
• α: 74.25°
• β: 71.751°
• γ: 82.351°
• Cell volume: 4399.85 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2057
• Weighted residual factors for all reflections included in the refinement: 0.2324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No