Information card for entry 4338081

Structure parameters

• Formula: C37 H53 Cl N3 P Si3 Ti
• Calculated formula: C37 H53 Cl N3 P Si3 Ti
• SMILES: [Ti]12(Cl)([P](Cc3c(N1[Si](C)(C)C)cccc3)(Cc1c(N2[Si](C)(C)C)cccc1)Cc1c(N[Si](C)(C)C)cccc1)Cc1ccccc1
• Title of publication: A Tripodal Benzylene-Linked Trisamidophosphine Ligand Scaffold: Synthesis and Coordination Chemistry with Group(IV) Metals.
• Authors of publication: Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 4144 - 4153
• a: 20.297 ± 0.0004 Å
• b: 9.31074 ± 0.00014 Å
• c: 22.7693 ± 0.0005 Å
• α: 90°
• β: 112.201 ± 0.003°
• γ: 90°
• Cell volume: 3983.94 ± 0.16 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No