Information card for entry 4322595

Structure parameters

• Formula: C30 H32 Cu F12 N6 Zr2
• Calculated formula: C44 H20 Cu F12 N20 Zr2
• Title of publication: [pyH]2[Cu(py)4(MX6)2] (MX6= ZrF62-, NbOF52-, MoO2F42-; py = Pyridine): Rarely Observed Ordering of Metal Oxide Fluoride Anions
• Authors of publication: Kevin R. Heier; Alexander J. Norquist; Christopher G. Wilson; Charlotte L. Stern; Kenneth R. Poeppelmeier
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 76 - 80
• a: 11.047 ± 0.001 Å
• b: 11.047 ± 0.001 Å
• c: 16.763 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2045.7 ± 0.5 ų
• Cell temperature: 426.4 K
• Ambient diffraction temperature: 426.4 K
• Number of distinct elements: 6
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0342
• Goodness-of-fit parameter for significantly intense reflections: 2.204
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No