Information card for entry 7102510

Structure parameters

• Formula: C10 H50 F40 N10 Sc10
• Calculated formula: C10 H50 F40 N10 Sc10
• Title of publication: A novel scandium fluoride, [C2N2H10]0.5[ScF4], with an unprecedented tungsten bronze-related layer structure.
• Authors of publication: Stephens, Nicholas F; Slawin, Alexandra M Z; Lightfoot, Philip
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 5
• Pages of publication: 614 - 615
• a: 8.8891 ± 0.0014 Å
• b: 10.3238 ± 0.0017 Å
• c: 14.178 ± 0.002 Å
• α: 83.299 ± 0.003°
• β: 88.383 ± 0.003°
• γ: 67.516 ± 0.002°
• Cell volume: 1193.8 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No