Information card for entry 7046064

Structure parameters

• Formula: C15 H11 Cl3 N3 Sc
• Calculated formula: C15 H11 Cl3 N3 Sc
• Title of publication: Group 3 metal trihalide complexes with neutral N-donor ligands - exploring their affinity towards fluoride.
• Authors of publication: Curnock, Emily; Levason, William; Light, Mark E.; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Reid, Gillian; Williams, R. Nathan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 6059 - 6068
• a: 8.5434 ± 0.0012 Å
• b: 13.9045 ± 0.0012 Å
• c: 14.0175 ± 0.0016 Å
• α: 90°
• β: 106.779 ± 0.013°
• γ: 90°
• Cell volume: 1594.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1511
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No