Information card for entry 4338074

Structure parameters

• Formula: C32 H51 N4 P Si3 Zr
• Calculated formula: C32 H51 N4 P Si3 Zr
• SMILES: [Zr]123([P](Cc4c(N1[Si](C)(C)C)cccc4)(Cc1c(N2[Si](C)(C)C)cccc1)Cc1c(N3[Si](C)(C)C)cccc1)N(C)C
• 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: 11.604 ± 0.006 Å
• b: 11.97 ± 0.006 Å
• c: 15.902 ± 0.007 Å
• α: 92.052 ± 0.011°
• β: 109.865 ± 0.009°
• γ: 118.711 ± 0.011°
• Cell volume: 1768.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0448
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No