Information card for entry 4300138

Structure parameters

• Formula: C34 H30 Er N P2 Se2
• Calculated formula: C34 H30 Er N P2 Se2
• SMILES: [Er]123456789%10([Se]=P([N]2=P([Se]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([cH]1[cH]3[cH]4[cH]5[cH]16)[cH]1[cH]7[cH]8[cH]9[cH]1%10
• Title of publication: Syntheses, Structures, and Properties of the Bis(cyclopentadienyl) Rare-Earth Imidodiphosphinochalcogenido Compounds Cp2Ln[N(QPPh2)2] (Ln = La, Gd, Er, or Yb for Q = Se; Ln = Yb for Q = S)
• Authors of publication: Christopher G. Pernin; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1216 - 1221
• a: 9.704 ± 0.002 Å
• b: 12.222 ± 0.003 Å
• c: 13.98 ± 0.004 Å
• α: 88.23 ± 0.004°
• β: 87.487 ± 0.004°
• γ: 69.107 ± 0.004°
• Cell volume: 1547.3 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0327
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No