Information card for entry 4300152

Structure parameters

• Formula: C72 H60 N3 P6 S6 Y
• Calculated formula: C72 H60 N3 P6 S6 Y
• SMILES: c1ccccc1P1(=[N]2[Y]3456([N](P(c7ccccc7)(c7ccccc7)=[S]3)=P(c3ccccc3)(c3ccccc3)S5)([N](=P(c3ccccc3)(c3ccccc3)S4)P(c3ccccc3)(c3ccccc3)=[S]6)(S1)[S]=P2(c1ccccc1)c1ccccc1)c1ccccc1
• 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: 14.927 ± 0.005 Å
• b: 14.927 ± 0.005 Å
• c: 56.047 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10815 ± 6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No