Information card for entry 7705366

Structure parameters

• Formula: C63 H78 N2 O3 Si Ti
• Calculated formula: C58 H66 N2 O3 Si Ti
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1C(=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Ti]21(O[Si](C)(C)C)OC1(c3ccccc3c3c1cccc3)C1(c3ccccc3c3c1cccc3)O2)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: 11.8988 ± 0.0004 Å
• b: 22.2268 ± 0.0008 Å
• c: 22.0748 ± 0.0007 Å
• α: 88.458 ± 0.003°
• β: 84.52 ± 0.003°
• γ: 74.716 ± 0.003°
• Cell volume: 5605.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.2241
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2188
• Weighted residual factors for all reflections included in the refinement: 0.2846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No