Information card for entry 7046251

Structure parameters

• Formula: C39 H91 I N2 Si4 Sm
• Calculated formula: C39 H91 I N2 Si4 Sm
• Title of publication: Heteroleptic samarium(iii) halide complexes probed by fluorescence-detected L₃-edge X-ray absorption spectroscopy.
• Authors of publication: Goodwin, Conrad A. P.; Réant, Benjamin L L; Kragskow, Jon G. C.; DiMucci, Ida M.; Lancaster, Kyle M.; Mills, David P.; Sproules, Stephen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10613 - 10625
• a: 20.034 ± 0.0004 Å
• b: 20.2409 ± 0.0004 Å
• c: 24.0385 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9747.8 ± 0.3 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No