Information card for entry 7040732

Structure parameters

• Formula: C86 H73 B2 Cl12 F8 N16 Ni4
• Calculated formula: C86 H73 B2 Cl12 F8 N16 Ni4
• SMILES: [Ni]1234([Ni]5678[Ni]9%10%11%12[Ni](Cl)([n]%13c(N9c9[n]5c5[n]1cccc5cc9)ccc(c%13)C1=CC=CC[CH]1)([n]1c(N%10c5[n]6c6[n]2cccc6cc5)ccc(c1)c1ccccc1)([n]1c(N%11c2[n]7c5[n]3cccc5cc2)ccc(c1)c1ccccc1)[n]1c(N%12c2[n]8c3[n]4cccc3cc2)ccc(c1)c1ccccc1)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(CCl)Cl.C(CCl)Cl.C(CCl)Cl.C(CCl)Cl.C(CCl)Cl
• 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: 14.6577 ± 0.0009 Å
• b: 35.883 ± 0.002 Å
• c: 17.1139 ± 0.001 Å
• α: 90°
• β: 91.75 ± 0.002°
• γ: 90°
• Cell volume: 8997.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2264
• Residual factor for significantly intense reflections: 0.1185
• Weighted residual factors for significantly intense reflections: 0.2984
• Weighted residual factors for all reflections included in the refinement: 0.3467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.41
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No