Information card for entry 4313271

Structure parameters

• Chemical name: Ni3(btc)2(py)6(meso-C4H10O2)3.guest
• Formula: C66 H60 N6 Ni3 O24
• Calculated formula: C66 H60 N6 Ni3 O24
• 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: 28.4 ± 0.004 Å
• b: 28.4 ± 0.004 Å
• c: 28.4 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22906 ± 6 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: 0.0702
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.2097
• Weighted residual factors for all reflections included in the refinement: 0.2138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.6941 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No