Information card for entry 4350165

Structure parameters

• Formula: C40 H28 N6 Ni O18.88
• Calculated formula: C40 H28 N6 Ni O19.056
• Title of publication: 2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.
• Authors of publication: Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 3976 - 3982
• a: 23.481 ± 0.002 Å
• b: 20.5272 ± 0.0018 Å
• c: 8.8844 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4282.3 ± 0.7 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No