Information card for entry 7244783

Structure parameters

• Formula: C158 H197 Br Co6 N13 Na O13
• Calculated formula: C144 H176 Br Co6 N6 Na O13
• 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: 16.9279 ± 0.0002 Å
• b: 21.3316 ± 0.0003 Å
• c: 24.0984 ± 0.0004 Å
• α: 88.438 ± 0.001°
• β: 85.353 ± 0.001°
• γ: 68.197 ± 0.001°
• Cell volume: 8052.8 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0872
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No