Information card for entry 7020048

Structure parameters

• Formula: Cu3 F4 H8 N2 O12 P4
• Calculated formula: Cu3 F4 H8 N2 O12 P4
• Title of publication: Copper(ii) fluorophosphates.
• Authors of publication: Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 35
• Pages of publication: 10845 - 10853
• a: 7.8246 ± 0.0007 Å
• b: 9.494 ± 0.0008 Å
• c: 9.1169 ± 0.0008 Å
• α: 90°
• β: 94.87 ± 0.005°
• γ: 90°
• Cell volume: 674.82 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0779
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No