Information card for entry 7212647

Structure parameters

• Formula: C36 H33 Co F18 N7 O2 P3
• Calculated formula: C36 H33 Co F18 N7 O2 P3
• SMILES: [Co]1234([n]5ccccc5c5[n]1c(cc(OCC)c5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(OCC)c1)c1[n]4cccc1.N#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes
• Authors of publication: Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2949
• a: 13.416 ± 0.0013 Å
• b: 20.1202 ± 0.0018 Å
• c: 30.775 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8307.2 ± 1.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections: 0.1291
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1507
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No