Information card for entry 4300141

Structure parameters

• Formula: C76 H76 N2 O2 P4 Se4 Yb2
• Calculated formula: C76 H76 N2 O2 P4 Se4 Yb2
• SMILES: [Yb]123456789([Se]=P(N=P([Se]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([cH]1[cH]2[cH]3[cH]4[cH]15)[cH]1[cH]6[cH]7[cH]8[cH]19.C1CCCO1
• 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: 12.087 ± 0.004 Å
• b: 12.429 ± 0.004 Å
• c: 23.99 ± 0.007 Å
• α: 89.406 ± 0.005°
• β: 86.368 ± 0.005°
• γ: 81.664 ± 0.005°
• Cell volume: 3558.8 ± 1.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No