Information card for entry 7705362

Structure parameters

• Formula: C43 H64 Cl N2 O2 Ti
• Calculated formula: C43 H64 Cl N2 O2 Ti
• Title of publication: Synthesis of compounds with C-P-P and C[double bond, length as m-dash]P-P bond systems based on the phospha-Wittig reaction.
• Authors of publication: Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Pikies, Jerzy; Ponikiewski, Łukasz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 39
• Pages of publication: 13635 - 13646
• a: 23.6443 ± 0.0016 Å
• b: 18.6688 ± 0.0007 Å
• c: 19.2429 ± 0.001 Å
• α: 90°
• β: 109.089 ± 0.005°
• γ: 90°
• Cell volume: 8027 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No