Information card for entry 4313274

Structure parameters

• Chemical name: Ni3(btc)2(py)6(C3H8O3)4.32.guest
• Formula: C64.25 H36 N6 Ni3 O28.25
• Calculated formula: C64.326 H42 N6 Ni3 O28.326
• Title of publication: Chiral Direction and Interconnection of Helical Three-Connected Networks in Metal-Organic Frameworks
• Authors of publication: T. J. Prior; M. J. Rosseinsky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1564 - 1575
• a: 28.602 ± 0.0015 Å
• b: 28.602 ± 0.0015 Å
• c: 28.602 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23399 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 214
• Hermann-Mauguin space group symbol: I 41 3 2
• Hall space group symbol: I 4bd 2c 3
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2289
• Weighted residual factors for all reflections included in the refinement: 0.2356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.6923 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No