Information card for entry 4101930

Structure parameters

• Formula: C37.5 H41.5 N4.5 O12.5 Zn3
• Calculated formula: C37.5 H38 N4.5 O12.5 Zn3
• Title of publication: Rigid Pillars and Double Walls in a Porous Metal-Organic Framework: Single-Crystal to Single-Crystal, Controlled Uptake and Release of Iodine and Electrical Conductivity
• Authors of publication: Ming-Hua Zeng; Qiang-Xin Wang; Yan-Xi Tan; Sheng Hu; Hai-Xia Zhao; La-Sheng Long; Mohamedally Kurmoo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 2561 - 2563
• a: 24.8859 ± 0.0014 Å
• b: 24.8859 ± 0.0014 Å
• c: 15.1743 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9397.6 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No