Information card for entry 7040731

Structure parameters

• Formula: C81 H60 Cl10 F3 N16 Ni4 O3 S
• Calculated formula: C81 H60 Cl10 F3 N16 Ni4 O3 S
• Title of publication: Asymmetric tetranuclear nickel chains with unidirectionally ordered 2-(α-(5-phenyl)pyridylamino)-1,8-naphthyridine ligands.
• Authors of publication: Tsou, Lien-Hung; Sigrist, Marc; Chiang, Ming-Hsi; Horng, Er-Chien; Chen, Chun-Hsien; Huang, Shou-Ling; Lee, Gene-Hsiang; Peng, Shie-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17281 - 17289
• a: 14.6069 ± 0.0005 Å
• b: 17.1511 ± 0.0005 Å
• c: 17.8766 ± 0.0004 Å
• α: 76.392 ± 0.002°
• β: 86.344 ± 0.002°
• γ: 69.1391 ± 0.0014°
• Cell volume: 4066.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1874
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2648
• Weighted residual factors for all reflections included in the refinement: 0.3369
• 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: Yes
• Has Fobs: No