Information card for entry 7007057

Structure parameters

• Common name: (Ni6(bpyany)4Cl2)(PF6)
• Formula: C80 H68 Cl18 F6 N24 Ni6 O2 P
• Calculated formula: C80 H68 Cl18 F6 N24 Ni6 O2 P
• Title of publication: Weak antiferromagnetic coupling for novel linear hexanuclear nickel(II) string complexes (Ni6 12+) and partial metal-metal bonds in their one-electron reduction products (Ni6 11+).
• Authors of publication: Chien, Chih-Hsien; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Fang, Jim-Min; Song, You; Peng, Shie-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 26
• Pages of publication: 3249 - 3256
• a: 15.9683 ± 0.0007 Å
• b: 15.9683 ± 0.0007 Å
• c: 41.456 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10570.7 ± 0.8 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.1694
• Residual factor for significantly intense reflections: 0.1106
• Weighted residual factors for significantly intense reflections: 0.3232
• Weighted residual factors for all reflections included in the refinement: 0.3818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No