Information card for entry 4001270

Structure parameters

• Formula: C4 H14 F5 In N2
• Calculated formula: C4 H14 F5 In N2
• Title of publication: Solvothermal Synthesis and Luminescent Properties of Two Organically Templated Chain-Structure Fluorides, [C4H14N2][MF5] (M = In, Sc)
• Authors of publication: Jayasundera, Anil C. A.; Finch, Adrian A.; Wormald, Philip; Lightfoot, Philip
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 21
• Pages of publication: 6810
• a: 9.3243 ± 0.0018 Å
• b: 11.391 ± 0.002 Å
• c: 8.4009 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 892.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No