Information card for entry 7032218

Structure parameters

• Formula: C72 H52 N20 Ni4 O16 S4
• Calculated formula: C72 H52 N20 Ni4 O16 S4
• Title of publication: Synthesis, crystal structure and optical properties of a naphthylbisimide-Ni complex: a framework on TiO2 for visible light H2 production.
• Authors of publication: Bala, Sukhen; Mondal, Indranil; Goswami, Arijit; Pal, Ujjwal; Mondal, Raju
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 15704 - 15707
• a: 13.03 ± 0.009 Å
• b: 13.687 ± 0.01 Å
• c: 15.078 ± 0.01 Å
• α: 91.61 ± 0.02°
• β: 107.895 ± 0.019°
• γ: 102.39 ± 0.02°
• Cell volume: 2487 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2171
• Weighted residual factors for all reflections included in the refinement: 0.2675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No