Information card for entry 7244784

Structure parameters

• Formula: C214 H270 Br Co4 N19 Na O16
• Calculated formula: C196 H243 Br Co4 N10 Na 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: 21.7315 ± 0.0002 Å
• b: 31.5316 ± 0.0005 Å
• c: 29.9771 ± 0.0005 Å
• α: 90°
• β: 94.9104 ± 0.0012°
• γ: 90°
• Cell volume: 20465.8 ± 0.5 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.256
• Weighted residual factors for all reflections included in the refinement: 0.2651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No