Information card for entry 7047360

Structure parameters

• Chemical name: Sm(18-crown-6)(OCP){CH[N(Dipp)]2}
• Formula: C38 H59 N2 O7 P Sm
• Calculated formula: C38 H59 N2 O7 P Sm
• Title of publication: Synthesis and reactivity of rare-earth metal phosphaethynolates.
• Authors of publication: Bestgen, Sebastian; Chen, Qien; Rees, Nicholas H.; Goicoechea, Jose M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 37
• Pages of publication: 13016 - 13024
• a: 11.151 ± 0.002 Å
• b: 27.883 ± 0.006 Å
• c: 13.27 ± 0.003 Å
• α: 90°
• β: 95 ± 0.03°
• γ: 90°
• Cell volume: 4110.3 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No