Information card for entry 7108138

Structure parameters

• Formula: C44 H30 N2 O16 Zn3
• Calculated formula: C44 H30 N2 O16 Zn3
• Title of publication: Photo- and thermally induced coloration of a crystalline MOF accompanying electron transfer and long-lived charge separation in a stable host-guest system
• Authors of publication: Yu Zeng; Zhiyong Fu; Hengjun Chen; Changchun Liu; Shijun Liao; Jingcao Dai
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8114
• a: 9.52 ± 0.0019 Å
• b: 10.16 ± 0.002 Å
• c: 11.49 ± 0.002 Å
• α: 102.5 ± 0.03°
• β: 110.19 ± 0.03°
• γ: 94.42 ± 0.03°
• Cell volume: 1004.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0409
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No