Information card for entry 4300153

Structure parameters

• Formula: C73 H62 Cl2 N3 P6 Se6 Y
• Calculated formula: C73 H62 Cl2 N3 P6 Se6 Y
• SMILES: [Y]1234([Se]P(=[N]1P(=[Se]2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([Se]P(=NP(=[Se]3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Se]P(=NP(=[Se]4)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Soluble Yttrium Chalcogenides: Syntheses, Structures, and NMR Properties of Y[η3-N(SPPh2)2]3 and Y[η2-N(SePPh2)2]2[η3-N(SePPh2)2]
• Authors of publication: Christopher G. Pernin; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1222 - 1226
• a: 13.3511 ± 0.0017 Å
• b: 38.539 ± 0.007 Å
• c: 14.108 ± 0.002 Å
• α: 90°
• β: 94.085 ± 0.013°
• γ: 90°
• Cell volume: 7240.7 ± 1.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0685
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No