Information card for entry 4323219

Structure parameters

• Formula: C20 H24 Cu F6 N4 O2 Ti
• Calculated formula: C20 H20 Cu0.5 F6 N4 O3 Ti0.5
• Title of publication: Composition Space Diagrams for Mixed Transition Metal Oxide Fluorides
• Authors of publication: Alexander J. Norquist; Kevin R. Heier; Charlotte L. Stern; Kenneth R. Poeppelmeier
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6495 - 6501
• a: 12.77 ± 0.02 Å
• b: 12.05 ± 0.01 Å
• c: 17.79 ± 0.01 Å
• α: 90°
• β: 109.9 ± 0.1°
• γ: 90°
• Cell volume: 2574 ± 5 ų
• Cell temperature: 426.2 K
• Ambient diffraction temperature: 426.2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.0541
• Goodness-of-fit parameter for all reflections: 2.152
• Goodness-of-fit parameter for significantly intense reflections: 1.938
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No