Information card for entry 1563018

Structure parameters

• Formula: C7 H7 Bi F N O6
• Calculated formula: C7 H3 Bi F N O6
• Title of publication: Bi[NC5H3(CO2)2](OH2)xF (x=1 and 2): New one-dimensional Bi-coordination materials—Reversible hydration and topotactic decomposition to α-Bi2O3
• Authors of publication: Jeon, Hye Rim; Lee, Dong Woo; Ok, Kang Min
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2012
• Journal volume: 187
• Pages of publication: 83 - 88
• a: 11.744 ± 0.002 Å
• b: 13.223 ± 0.003 Å
• c: 6.2279 ± 0.0012 Å
• α: 90°
• β: 103.44 ± 0.03°
• γ: 90°
• Cell volume: 940.7 ± 0.3 ų
• Cell temperature: 200 ± 0.2 K
• Ambient diffraction temperature: 200 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.0284
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No