Information card for entry 7217440

Structure parameters

• Formula: C116 H178 Co N4 O38 S12
• Calculated formula: C116 H178 Co N4 O38 S12
• 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: 12.9496 ± 0.0016 Å
• b: 12.9821 ± 0.0016 Å
• c: 20.789 ± 0.003 Å
• α: 84.935 ± 0.002°
• β: 82.643 ± 0.002°
• γ: 77.463 ± 0.001°
• Cell volume: 3376.9 ± 0.8 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: 0.1398
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.2317
• Weighted residual factors for all reflections included in the refinement: 0.2735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7215970
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No