Information card for entry 4313272

Structure parameters

• Chemical name: Ni3(btc)2(py)6(R-phenylethanediol)3
• Formula: C60 H18 N6 Ni3 O18
• Calculated formula: C60 H18 N6 Ni3 O18
• 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: 28.718 ± 0.002 Å
• b: 28.718 ± 0.002 Å
• c: 28.718 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23684 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1397
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.284
• Weighted residual factors for all reflections included in the refinement: 0.3065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No