Information card for entry 4318653

Structure parameters

• Formula: C32 H36 Cu F10 N6 Nb2 O4
• Calculated formula: C31 H35 Cu0.5 F10 N5 Nb2 O4
• Title of publication: Out-of-Center Distortions in d0 Transition Metal Oxide Fluoride Anions
• Authors of publication: Margaret E. Welk; Alexander J. Norquist; Frederick P. Arnold; Charlotte L. Stern; Kenneth R. Poeppelmeier
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5119 - 5125
• a: 10.9427 ± 0.0008 Å
• b: 16.204 ± 0.001 Å
• c: 21.396 ± 0.002 Å
• α: 90°
• β: 93.263 ± 0.001°
• γ: 90°
• Cell volume: 3787.7 ± 0.5 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 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: 0.026
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.031
• Goodness-of-fit parameter for all reflections: 1.858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.86
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No