Information card for entry 7006904

Structure parameters

• Common name: (Co6(bpyany)(NCS)2)(PF6)
• Formula: C80 H62 Cl12 Co6 F6 N26 O P S2
• Calculated formula: C80 H62 Cl12 Co6 F6 N26 O P S2
• 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: 27.3324 ± 0.0004 Å
• b: 12.9324 ± 0.0002 Å
• c: 25.6423 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9063.9 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 9
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No