Information card for entry 7007056

Structure parameters

• Common name: (Ni6(bpyany)4(NCS)2)(BPh4)2
• Formula: C132 H104 B2 Cl4 N30 Ni6 S2
• Calculated formula: C132 H104 B2 Cl4 N30 Ni6 S2
• 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: 22.0967 ± 0.0002 Å
• b: 18.7432 ± 0.0002 Å
• c: 29.3512 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12156.2 ± 0.19 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.2479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No