Information card for entry 4302757

Structure parameters

• Common name: (Co(Im)6)15NDS(H2O)
• Chemical name: cobalt hexaimidazole 1,5-napthalenedisulfonate hydrate
• Formula: C28 H34 Co N12 O8 S2
• Calculated formula: C28 H34 Co N12 O8 S2
• SMILES: c1[n]([Co]([n]2c[nH]cc2)([n]2c[nH]cc2)([n]2c[nH]cc2)([n]2c[nH]cc2)[n]2cc[nH]c2)c[nH]c1.c12c(S(=O)(=O)[O-])cccc1c(S(=O)(=O)[O-])ccc2.O.O
• 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: 8.3402 ± 0.0007 Å
• b: 9.8944 ± 0.0009 Å
• c: 10.8515 ± 0.0009 Å
• α: 70.15 ± 0.002°
• β: 85.002 ± 0.002°
• γ: 79.917 ± 0.002°
• Cell volume: 828.9 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No