Information card for entry 4338082

Structure parameters

• Formula: C66 H54 Cl2 D18 N6 P2 Si2 Ti3
• Calculated formula: C66 H54 Cl2 D18 N6 P2 Si2 Ti3
• SMILES: [Ti]12345[P]67Cc8c(N2[Ti]2(Cl)N4c4c(C[P]1(Cc1c(N5[Ti](Cl)(N3c3c(C6)cccc3)N([Si](C)(C)C)c3c(C7)cccc3)cccc1)Cc1c(N2[Si](C)(C)C)cccc1)cccc4)cccc8.c1([2H])c([2H])c([2H])c([2H])c([2H])c1[2H].c1([2H])c([2H])c([2H])c([2H])c([2H])c1[2H].c1([2H])c([2H])c([2H])c([2H])c([2H])c1[2H]
• 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: 15.4536 ± 0.0004 Å
• b: 15.5687 ± 0.0004 Å
• c: 15.9472 ± 0.0004 Å
• α: 74.457 ± 0.002°
• β: 66.589 ± 0.003°
• γ: 68.283 ± 0.002°
• Cell volume: 3237.94 ± 0.16 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No