Information card for entry 4107382

Structure parameters

• Formula: C6 H2.25 N0.75 Ni0.75 O3.9
• Calculated formula: C6 H2.25 N0.75 Ni0.75 O3.9
• Title of publication: Supermolecular Building Blocks (SBBs) and Crystal Design: 12-Connected Open Frameworks Based on a Molecular Cubohemioctahedron
• Authors of publication: Amy J. Cairns; Jason A. Perman; Lukasz Wojtas; Victor Ch. Kravtsov; Mohamed H. Alkordi; Mohamed Eddaoudi; Michael J. Zaworotko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1560 - 1561
• a: 31.34 ± 0.0007 Å
• b: 31.34 ± 0.0007 Å
• c: 31.34 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 30782 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 202
• Hermann-Mauguin space group symbol: F m -3
• Hall space group symbol: -F 2 2 3
• Residual factor for all reflections: 0.1575
• Residual factor for significantly intense reflections: 0.1432
• Weighted residual factors for significantly intense reflections: 0.3462
• Weighted residual factors for all reflections included in the refinement: 0.3575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No