Information card for entry 4308266

Structure parameters

• Common name: CoHA-BPDS-DMF
• Formula: C39 H71 Co2 N13 O21 S6
• Calculated formula: C39 H36 Co2 N13 O21 S6
• Title of publication: Hydrogen-Bonded Metal-Complex Sulfonate (MCS) Inclusion Compounds: Effect of the Guest Molecule on the Host Framework
• Authors of publication: Xin-Yi Wang; Rachelle Justice; Slavi C. Sevov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4626 - 4631
• a: 30.0959 ± 0.0008 Å
• b: 15.3393 ± 0.0005 Å
• c: 12.8545 ± 0.0004 Å
• α: 90°
• β: 101.28 ± 0.002°
• γ: 90°
• Cell volume: 5819.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No