Information card for entry 4323786

Structure parameters

• Formula: C30 H32 Cu F10 N6 Nb2 O2
• Calculated formula: C32 H32 Cu F10 N8 Nb2 O2
• Title of publication: Composition Space of the (CuO,1/2Nb~2~O~5~)/(HF)~x~.pyridine/H~2~O System. Structure and Synthesis of [pyH^+^]~2-~[CuNb~2~(py)~4~O~2~F~10~]^2+^ and CuNb(py)~4~OF~5~
• Authors of publication: Paramasivan Halasyamani; Michael J. Willis; Charlotte L. Stern; Paul M. Lundquist; George K. Wong; Kenneth R. Poeppelmeier
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 1367 - 1371
• a: 11.408 ± 0.003 Å
• b: 11.408 ± 0.003 Å
• c: 30.36 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3951 ± 2 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 K
• Number of distinct elements: 7
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for significantly intense reflections: 2.424
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No