Information card for entry 4338080

Structure parameters

• Formula: C34 H50 Cl2 N3 P Si3 Ti
• Calculated formula: C30 H46 Cl2 N3 P Si3 Ti
• SMILES: [Ti]12(Cl)(Cl)[P](Cc3c(N1[Si](C)(C)C)cccc3)(Cc1c(N2[Si](C)(C)C)cccc1)Cc1c(N[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: 9.7694 ± 0.0005 Å
• b: 11.3071 ± 0.0004 Å
• c: 18.5921 ± 0.0007 Å
• α: 107.384 ± 0.003°
• β: 101.288 ± 0.004°
• γ: 92.178 ± 0.003°
• Cell volume: 1911.79 ± 0.15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No