Information card for entry 7047357

Structure parameters

• Chemical name: [Na(18-crown-6)](THF)2][Nd(OCP)2{CH[N(Dipp)]2}2]*0.5THF*0.5hex
• Formula: C81 H128 N4 Na Nd O11.5 P2
• Calculated formula: C81 H128 N4 Na Nd O11.5 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: 16.6407 ± 0.0002 Å
• b: 24.6511 ± 0.0003 Å
• c: 20.6049 ± 0.0002 Å
• α: 90°
• β: 93.097 ± 0.001°
• γ: 90°
• Cell volume: 8440.02 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0356
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No