Information card for entry 2236919

Structure parameters

• Chemical name: Tris(thiocyanato-κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)terbium(III)
• Formula: C57 H45 N3 O3 P3 S3 Tb
• Calculated formula: C57 H45 N3 O3 P3 S3 Tb
• SMILES: [Tb]([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(N=C=S)(N=C=S)N=C=S
• Title of publication: Tris(thiocyanato-κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)terbium(III)
• Authors of publication: Pham, Lam N.; Thames, Anthony T.; White, Frankie D.; Xiang, Kang Rui; Sykora, Richard E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1531
• a: 38.6774 ± 0.0005 Å
• b: 38.6774 ± 0.0005 Å
• c: 12.3956 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16058.8 ± 0.4 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No