Information card for entry 4325235

Structure parameters

• Formula: C40 H24 N3 Ni2 O9
• Calculated formula: C40 H24 N3 Ni2 O9
• Title of publication: Investigation of Porous Ni-Based Metal-Organic Frameworks Containing Paddle-Wheel Type Inorganic Building Units via High-Throughput Methods
• Authors of publication: Palanikumar Maniam; Norbert Stock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5085 - 5097
• a: 26.816 ± 0.003 Å
• b: 26.816 ± 0.003 Å
• c: 26.816 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19283 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2393
• Weighted residual factors for all reflections included in the refinement: 0.2468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No