Information card for entry 7235421

Structure parameters

• Formula: C6 H16 Cl0.25 Cu4 F4 N2 O16.88 P5
• Calculated formula: C6 H16 Cl0.191 Cu4 F4 N2 O16.923 P5.009
• Title of publication: Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines
• Authors of publication: Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 160
• a: 13.722 ± 0.0006 Å
• b: 13.7879 ± 0.0006 Å
• c: 24.8892 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4709 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1477
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No