Information card for entry 7047355

Structure parameters

• Chemical name: [Nd{CH[N(Dipp)]2}2(THF)(OCP)]2*C6H6
• Formula: C108 H146 N8 Nd2 O2 P2
• Calculated formula: C108 H146 N8 Nd2 O2 P2
• 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: 12.339 ± 0.003 Å
• b: 13.458 ± 0.003 Å
• c: 16.372 ± 0.003 Å
• α: 85.06 ± 0.03°
• β: 89.92 ± 0.03°
• γ: 69.91 ± 0.03°
• Cell volume: 2542.6 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No