Information card for entry 7700243

Structure parameters

• Formula: C106 H114 Cl2 I3 N22 Ni3 O10
• Calculated formula: C106 H114 Cl2 I3 N22 Ni3 O10
• Title of publication: The synthesis and magnetic properties of a linear mixed-valence [Ni₃]⁵⁺ in an anthyridine tri-nickel complex.
• Authors of publication: Hsieh, Chang-Lin; Liu, Tsai-Jung; Song, You; Lee, Gene-Hsiang; Jin, Bih-Yaw; Lin, Tien-Sung; Peng, Shie-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 9912 - 9915
• a: 17.7735 ± 0.0012 Å
• b: 18.5313 ± 0.0011 Å
• c: 32.2015 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10606.1 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No