Information card for entry 7212641

Structure parameters

• Formula: C30 H20 Cl2 Co F12 N6 P2
• Calculated formula: C30 H20 Cl2 Co F12 N6 P2
• SMILES: c1cccc2c3cc(cc4c5[n]([Co]67([n]34)([n]3c(cc(cc3c3[n]7cccc3)Cl)c3[n]6cccc3)[n]12)cccc5)Cl.[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: 8.94 ± 0.0013 Å
• b: 8.94 ± 0.0013 Å
• c: 20.236 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1617.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No