Information card for entry 2203175

Structure parameters

• Formula: C54 H54 Cl4 P2 S2 Zr2
• Calculated formula: C54 H54 Cl4 P2 S2 Zr2
• Title of publication: Bis[μ-4-(diphenylphosphino)but-3-ene-2-thiolato]bis[bis(η^5^-cyclopentadienyl)zirconium(IV)] dichloromethane disolvate
• Authors of publication: Ortega, Esteban; Pirio, Nadine; Meunier, Philippe; Richard, Philippe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m201 - m203
• a: 12.2116 ± 0.0005 Å
• b: 12.409 ± 0.0006 Å
• c: 17.2983 ± 0.0009 Å
• α: 90°
• β: 107.526 ± 0.002°
• γ: 90°
• Cell volume: 2499.6 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes