Information card for entry 7243269

Structure parameters

• Formula: C69 H65 N27 O23 Zn4
• Calculated formula: C69 H65 N27 O23 Zn4
• Title of publication: Inter-ligand charge-transfer interactions in a photochromic and redox active zinc–organic framework
• Authors of publication: Zhou, Yan; Han, Lei; Chen, Wen-Jie
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 35
• Pages of publication: 5982 - 5988
• a: 13.506 ± 0.005 Å
• b: 17.59 ± 0.004 Å
• c: 18.041 ± 0.006 Å
• α: 90°
• β: 97.01 ± 0.02°
• γ: 90°
• Cell volume: 4254 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1743
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No