Information card for entry 4504581

Structure parameters

• Formula: C20 H20 Cd F5 N4 Nb O
• Calculated formula: C20 H20 Cd F5 N4 Nb O
• Title of publication: Evidence for Nonpolar Alignment of [NbOF5]2-Anions in Cd(pyridine)4NbOF5Chains
• Authors of publication: Guillory, Paulette C. R.; Kirsch, Janet E.; Izumi, Heather K.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 382
• a: 14.0965 ± 0.0012 Å
• b: 16.353 ± 0.0014 Å
• c: 10.438 ± 0.0009 Å
• α: 90°
• β: 95.569 ± 0.002°
• γ: 90°
• Cell volume: 2394.8 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No