Information card for entry 7020045

Structure parameters

• Formula: C6 H16 Cu3 F4 N2 O12 P4
• Calculated formula: C4 H14 Cu3 F4 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: 5.7913 ± 0.0002 Å
• b: 9.6085 ± 0.0003 Å
• c: 16.3303 ± 0.0005 Å
• α: 90.428 ± 0.002°
• β: 94.283 ± 0.002°
• γ: 99.977 ± 0.002°
• Cell volume: 892.28 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No