Information card for entry 4350166

Structure parameters

• Formula: C40 H20 N6 Ni O14
• Calculated formula: C40.004 H20 N6 Ni O14.002
• 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 ± 0.005 Å
• b: 20.625 ± 0.004 Å
• c: 8.5022 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4033.2 ± 1.4 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 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: 0.2268
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.2009
• Weighted residual factors for all reflections included in the refinement: 0.2614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No