Information card for entry 7244782

Structure parameters

• Formula: C184 H239 Br2 Co3 Li9 N22 O16
• Calculated formula: C174 H218 Br2 Co3 Li9 N17 O16
• Title of publication: Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity
• Authors of publication: Ignaszak, Anna; Patterson, Nigel; O'Brien, Connor; True, Allison; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 19
• Pages of publication: 11672 - 11685
• a: 16.6753 ± 0.0004 Å
• b: 61.6021 ± 0.0017 Å
• c: 18.8069 ± 0.0007 Å
• α: 90°
• β: 91.986 ± 0.002°
• γ: 90°
• Cell volume: 19307.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2373
• Residual factor for significantly intense reflections: 0.1766
• Weighted residual factors for significantly intense reflections: 0.3987
• Weighted residual factors for all reflections included in the refinement: 0.4369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No