Information card for entry 7244788

Structure parameters

• Formula: C134 H189 Br2 Co2 Li8 N9 O17
• Calculated formula: C128 H176 Br2 Co2 Li8 N8 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: 10.6094 ± 0.0007 Å
• b: 17.1327 ± 0.0012 Å
• c: 20.911 ± 0.0015 Å
• α: 107.144 ± 0.004°
• β: 93.425 ± 0.003°
• γ: 104.202 ± 0.004°
• Cell volume: 3485.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1434
• Residual factor for significantly intense reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.3494
• Weighted residual factors for all reflections included in the refinement: 0.382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No