Information card for entry 7244787

Structure parameters

• Formula: C123.58 H157.38 Br1.58 Cl2.62 Co2.81 Li5.19 N17.79 O10
• Calculated formula: C99.584 H121.376 Br1.584 Cl2.624 Co2.806 Li5.194 N5.792 O10
• 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: 41.6832 ± 0.0005 Å
• b: 41.6832 ± 0.0005 Å
• c: 17.4818 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 30374.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1571
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.2934
• Weighted residual factors for all reflections included in the refinement: 0.3319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No