Information card for entry 4317085

Structure parameters

• Formula: C46 H44 N8 Ni O6 S2
• Calculated formula: C46 H44 N8 Ni O6 S2
• Title of publication: Illuminating Metal-Ion Sensors: Benzimidazolesulfonamide Metal Complexes
• Authors of publication: David Martin; Matthieu Rouffet; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10226 - 10228
• a: 17.124 ± 0.0012 Å
• b: 16.2677 ± 0.0012 Å
• c: 15.5935 ± 0.0011 Å
• α: 90°
• β: 95.157 ± 0.001°
• γ: 90°
• Cell volume: 4326.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No