Information card for entry 4338077

Structure parameters

• Formula: C30 H45 Cl N3 P Si3 Ti
• Calculated formula: C30 H45 Cl N3 P Si3 Ti
• SMILES: [Ti]123(Cl)[P](Cc4ccccc4N1[Si](C)(C)C)(Cc1ccccc1N2[Si](C)(C)C)Cc1c(N3[Si](C)(C)C)cccc1
• 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: 11.273 ± 0.005 Å
• b: 16.455 ± 0.007 Å
• c: 19.074 ± 0.009 Å
• α: 90°
• β: 106.134 ± 0.006°
• γ: 90°
• Cell volume: 3399 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0601
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No