Information card for entry 4308267

Structure parameters

• Common name: CoHA-BPDS-piperadine
• Formula: C41 H75 Co2 N13 O20 S6
• Calculated formula: C41 H52 Co2 N13 O20 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: 30.2942 ± 0.0011 Å
• b: 15.0722 ± 0.0006 Å
• c: 13.1166 ± 0.0005 Å
• α: 90°
• β: 97.896 ± 0.002°
• γ: 90°
• Cell volume: 5932.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No