Information card for entry 7046253

Structure parameters

• Formula: C36 H84 Br N2 Si4 Sm
• Calculated formula: C36 H84 Br 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: 20.6319 ± 0.0009 Å
• b: 20.1603 ± 0.0011 Å
• c: 21.9662 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9136.7 ± 0.8 ų
• Cell temperature: 150.01 ± 0.01 K
• Ambient diffraction temperature: 150.01 ± 0.01 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No