Information card for entry 7040733

Structure parameters

• Formula: C84.5 H65 Cl8 N18 Ni4 O4 S2
• Calculated formula: C84.5 H65 Cl8 N18 Ni4 O4 S2
• 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: 14.7684 ± 0.0006 Å
• b: 21.731 ± 0.001 Å
• c: 26.4842 ± 0.0011 Å
• α: 90°
• β: 99.361 ± 0.002°
• γ: 90°
• Cell volume: 8386.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1672
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No