Information card for entry 4321030

Structure parameters

• Formula: C23 H40 Cl N P Ti
• Calculated formula: C20 H35 Cl N P Ti
• Title of publication: Synthesis, Structure, and Single-Crystal EPR Study of [Cp(t-Bu3PN)Ti(μ-Cl)]2
• Authors of publication: Raymond C. W. Sung; Silke Courtenay; Bruce R. McGarvey; Douglas W. Stephan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2542 - 2546
• a: 9.182 ± 0.002 Å
• b: 11.283 ± 0.003 Å
• c: 11.437 ± 0.003 Å
• α: 76.72 ± 0.02°
• β: 78.84 ± 0.02°
• γ: 81.02 ± 0.02°
• Cell volume: 1123.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0625
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections: 0.1403
• Weighted residual factors for significantly intense reflections: 0.122
• Goodness-of-fit parameter for all reflections: 0.936
• Goodness-of-fit parameter for significantly intense reflections: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No