Information card for entry 4322432

Structure parameters

• Formula: C34 H30 N P2 S2 Y
• Calculated formula: C34 H30 N P2 S2 Y
• SMILES: [Y]123456789(N%10P(=[S]1)(c1ccccc1)c1ccccc1)([S]=P%10(c1ccccc1)c1ccccc1)([cH]1[cH]2[cH]3[cH]4[cH]15)[cH]1[cH]6[cH]7[cH]8[cH]19
• Title of publication: Bis(cyclopentadienyl)yttrium Complexes of the Ligand [N(QPPh2)2]- (Q = S, Se): Synthesis, Structure, and NMR Properties of Cp2Y[η3-N(QPPh2)2]
• Authors of publication: Christopher G. Pernin; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5478 - 5483
• a: 9.685 ± 0.005 Å
• b: 12.176 ± 0.006 Å
• c: 13.978 ± 0.007 Å
• α: 87.382 ± 0.009°
• β: 87.358 ± 0.009°
• γ: 68.689 ± 0.009°
• Cell volume: 1533.3 ± 1.3 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: 0.1154
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No