Information card for entry 4322763

Structure parameters

• Formula: C30 H44 N4 Ni O3
• Calculated formula: C30 H38 N4 Ni O3
• Title of publication: Syntheses, Crystal Structures, and NLO Properties of New Chiral Inorganic Chromophores for Second-Harmonic Generation
• Authors of publication: Géraldine Lenoble; Pascal G. Lacroix; Jean-Claude Daran; Santo Di Bella; Keitaro Nakatani
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2158 - 2165
• a: 8.613 ± 0.002 Å
• b: 21.714 ± 0.004 Å
• c: 15.87 ± 0.004 Å
• α: 90°
• β: 91.02 ± 0.02°
• γ: 90°
• Cell volume: 2967.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0444
• Goodness-of-fit parameter for significantly intense reflections: 1.0117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No