Information card for entry 4302762

Structure parameters

• Common name: (Ni(Im)4)15NDS
• Chemical name: nickel tetraimidazole 1,5-napthalenedisulfonate
• Formula: C22 H22 N8 Ni O6 S2
• Calculated formula: C22 H22 N8 Ni O6 S2
• Title of publication: Metal-Organic Frameworks with Direct Transition Metal-Sulfonate Interactions and Charge-Assisted Hydrogen Bonds
• Authors of publication: Tori Z. Forbes; Slavi C. Sevov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6873 - 6878
• a: 9.6229 ± 0.0003 Å
• b: 16.7604 ± 0.0005 Å
• c: 15.8224 ± 0.0005 Å
• α: 90°
• β: 101.639 ± 0.001°
• γ: 90°
• Cell volume: 2499.42 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No