Information card for entry 7006906

Structure parameters

• Common name: (Co6(bpyany)4(OTf)2)(OTf)2
• Formula: C82 H60 Cl12 Co6 F12 N24 O12 S4
• Calculated formula: C82 H60 Cl12 Co6 F12 N24 O12 S4
• SMILES: [Co]1234([Co]5678[Co]9%10%11%12[Co]%13%14%15%16[Co]%17%18%19%20[Co]([n]%21c(N%17c%17[n]%13c%13[n]9c(N5c5[n]1cccc5)ccc%13cc%17)cccc%21)([n]1c(N%18c5[n]%14c9[n]%10c(N6c6[n]2cccc6)ccc9cc5)cccc1)([n]1c(N%19c2[n]%15c5[n]%11c(N7c6[n]3cccc6)ccc5cc2)cccc1)([n]1c(N%20c2[n]%16c3[n]%12c(N8c5[n]4cccc5)ccc3cc2)cccc1)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.C(S(=O)(=O)[O-])(F)(F)F.C(S(=O)(=O)[O-])(F)(F)F.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Novel linear hexanuclear cobalt string complexes (Co6(12+)) and one-electron reduction products (Co6(11+)) supported by four bpyany2- ligands.
• Authors of publication: Chien, Chih-Hsien; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Fang, Jim-Min; Peng, Shie-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 17
• Pages of publication: 2106 - 2113
• a: 48.8644 ± 0.0004 Å
• b: 16.9122 ± 0.0001 Å
• c: 24.1983 ± 0.0002 Å
• α: 90°
• β: 96.541 ± 0.0004°
• γ: 90°
• Cell volume: 19867.4 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No