Information card for entry 7006905

Structure parameters

• Common name: (Co6(bpyany)4(NCS)2)(PF6)2
• Formula: C78 H56 Cl8 Co6 F12 N26 P2 S2
• Calculated formula: C78 H56 Cl8 Co6 F12 N26 P2 S2
• SMILES: c1cccc2[n]1[Co]134([n]5ccccc5N5[Co]6781N2c1ccc2c9[n]1[Co]1%10%116[n]6c%12c(ccc%13N%14c%15cccc[n]%15[Co]%15%16%17([n]%18c(N%19c([n]9[Co]9%20%10([n]%12%13)[n]%10c(N(c%12[n]%15cccc%12)[Co]%14%16%199N(c9ccc%12ccc5[n]1c%12[n]%209)c1cccc[n]%171)ccc1c%10[n]%11c(cc1)N8c1cccc[n]41)cc2)cccc%18)N=C=S)ccc6N7c1[n]3cccc1)N=C=S.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].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: 17.393 ± 0.0002 Å
• b: 17.393 ± 0.0002 Å
• c: 28.006 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8472.3 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No