Information card for entry 7051243

Structure parameters

• Formula: C38 H33.5 N6 Ni O4.75 S2
• Calculated formula: C38 H32 N6 Ni O4.5695 S2
• Title of publication: Rearrangement and co-ordination of 1-[(4-methylphenyl)- sulfonamido]-2-[1-(2-pyridylmethylidene)amino]benzene
• Authors of publication: Bermejo, Manuel R.; Sousa, Antonio; Fondo, Matilde; Helliwell, Madeleine
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 1
• Pages of publication: 33
• a: 27.512 ± 0.004 Å
• b: 27.5123 Å
• c: 25.092 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16448 ± 3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1707
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.0489
• Goodness-of-fit parameter for all reflections: 1.619
• Goodness-of-fit parameter for significantly intense reflections: 2.012
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No