Information card for entry 7215971

Structure parameters

• Formula: C100 H156 Co N2 O32 S10
• Calculated formula: C100 H156 Co N2 O32 S10
• Title of publication: Encapsulation of manganese and cobalt complexes within resorcin[4]arene dimers
• Authors of publication: Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 31
• Pages of publication: 7172
• a: 12.3562 ± 0.0003 Å
• b: 12.5049 ± 0.0003 Å
• c: 19.3386 ± 0.0004 Å
• α: 89.472 ± 0.001°
• β: 80.7 ± 0.001°
• γ: 79.3 ± 0.001°
• Cell volume: 2896.85 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0626
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No