Information card for entry 7127368

Structure parameters

• Formula: C44 H37 Co F24 N9 P4
• Calculated formula: C44 H37 Co F24 N9 P4
• SMILES: [Co]1234([n]5c(cc(cc5c5[n]2cccc5)c2cc[n+](cc2)C)c2[n]1cccc2)[n]1c(cc(cc1c1[n]4cccc1)c1cc[n+](cc1)C)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: A delocalized cobaltoviologen with seven reversibly accessible redox states and highly tunable electrochromic behaviour.
• Authors of publication: Mansoor, Iram F.; Wozniak, Derek I.; Wu, Yilei; Lipke, Mark C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 89
• Pages of publication: 13864 - 13867
• a: 12.9089 ± 0.0014 Å
• b: 31.053 ± 0.003 Å
• c: 25.429 ± 0.003 Å
• α: 90°
• β: 90.106 ± 0.002°
• γ: 90°
• Cell volume: 10193.5 ± 1.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No