Information card for entry 4073837

Structure parameters

• Formula: C50 H50 K O2 P3 S2
• Calculated formula: C50 H50 K O2 P3 S2
• Title of publication: Anions of Tridentate SPS Ligands: Syntheses, X-ray Structures and DFT Calculations
• Authors of publication: Doux, Marjolaine; Thuéry, Pierre; Blug, Matthias; Ricard, Louis; Le Floch, Pascal; Arliguie, Thérèse; Mézailles, Nicolas
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 5643
• a: 12.324 ± 0.001 Å
• b: 13.105 ± 0.001 Å
• c: 15.844 ± 0.001 Å
• α: 74.112 ± 0.001°
• β: 68.143 ± 0.001°
• γ: 86.087 ± 0.001°
• Cell volume: 2282.6 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0727
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No