Information card for entry 7016584

Structure parameters

• Formula: C27 H24 Cl O0.5 P2 S2 Sb
• Calculated formula: C27 H24 Cl O0.5 P2 S2 Sb
• SMILES: C12P(c3ccccc3)(=[S][Sb]=1([S]=P2(c1ccccc1)c1ccccc1)Cl)c1ccccc1.O1CCCC1
• Title of publication: S,C,S-Pnictogen bonding in pincer complexes of the methanediide [C(Ph(2)PS)(2)](2-).
• Authors of publication: Thirumoorthi, Ramalingam; Chivers, Tristram; Vargas-Baca, Ignacio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 32
• Pages of publication: 8086 - 8088
• a: 18.111 ± 0.0009 Å
• b: 11.945 ± 0.0004 Å
• c: 24.9682 ± 0.0011 Å
• α: 90°
• β: 98.449 ± 0.003°
• γ: 90°
• Cell volume: 5342.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No