Information card for entry 4024127

Structure parameters

• Formula: C74 H94 N8 O7 S3
• Calculated formula: C74 H94 N8 O7 S3
• Title of publication: Facile Isolation of Bisimines Based on 3,3'-Diaminobenzidine: Direct Access to Unsymmetrical Bimetallic Salphen Building Blocks
• Authors of publication: Simona Curreli; Eduardo C. Escudero-Adán; Jordi Benet-Buchholz; Arjan W. Kleij
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 7018 - 7021
• a: 10.6521 ± 0.0009 Å
• b: 12.8865 ± 0.0011 Å
• c: 25.943 ± 0.002 Å
• α: 95.385 ± 0.005°
• β: 91.957 ± 0.005°
• γ: 100.719 ± 0.005°
• Cell volume: 3478.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1392
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2244
• Weighted residual factors for all reflections included in the refinement: 0.2661
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No