Information card for entry 4060194

Structure parameters

• Formula: C30 H20 N6 Ni O2
• Calculated formula: C30 H20 N6 Ni O2
• 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: 17.985 ± 0.002 Å
• b: 26.557 ± 0.004 Å
• c: 12.191 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5823 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections: 0.1935
• Weighted residual factors for significantly intense reflections: 0.1828
• Goodness-of-fit parameter for all reflections: 1.073
• Goodness-of-fit parameter for significantly intense reflections: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No