Information card for entry 7244785

Structure parameters

• Formula: C360 H460 Br6 Co9 Li21 N44 O44
• Calculated formula: C308 H382 Br6 Co9 Li21 N18 O44
• 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: 10.4262 ± 0.0002 Å
• b: 57.4173 ± 0.001 Å
• c: 35.88 ± 0.0008 Å
• α: 90°
• β: 96.577 ± 0.002°
• γ: 90°
• Cell volume: 21338 ± 0.7 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: 0.1505
• Residual factor for significantly intense reflections: 0.115
• Weighted residual factors for significantly intense reflections: 0.3406
• Weighted residual factors for all reflections included in the refinement: 0.3653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.345
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No