Information card for entry 7705363

Structure parameters

• Formula: C50 H84 Cl N2 O2 P2 Si Ti
• Calculated formula: C50 H84 Cl N2 O2 P2 Si Ti
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1=C(C)C(/C(=N/c2c(cccc2C(C)C)C(C)C)C)C2(CCCC2)O[Ti]21(Cl)OC1(CCCC1)P([P]2(C(C)(C)C)C(C)(C)C)[Si](C)(C)C
• 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: 9.736 ± 0.0002 Å
• b: 27.4049 ± 0.0006 Å
• c: 19.8324 ± 0.0003 Å
• α: 90°
• β: 96.612 ± 0.001°
• γ: 90°
• Cell volume: 5256.37 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No