Information card for entry 4060195

Structure parameters

• Formula: C32 H24 N6 Ni O4
• Calculated formula: C32 H24 N6 Ni O4
• Title of publication: Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands
• Authors of publication: Tomasz Fekner; Judith Gallucci; Michael K. Chan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 223 - 236
• a: 8.082 ± 0.001 Å
• b: 11.956 ± 0.001 Å
• c: 13.813 ± 0.001 Å
• α: 84.49 ± 0.01°
• β: 89.44 ± 0.01°
• γ: 72.38 ± 0.01°
• Cell volume: 1266 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0369
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for all reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.076
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No