Information card for entry 4078518

Structure parameters

• Formula: C36 H57 N7 Si2 Zr
• Calculated formula: C36 H57 N7 Si2 Zr
• SMILES: [Zr]123(N([Si](C)(C)C(C)(C)C)CC(CN1[Si](C)(C)C(C)(C)C)(C)c1[n]2cccc1)N(N=NN3c1ccccc1)c1c(cc(cc1C)C)C
• Title of publication: Synthesis, Characterization, and Thermal Rearrangement of Zirconium Tetraazadienyl and Pentaazadienyl Complexes
• Authors of publication: Gehrmann, Thorsten; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4504
• a: 11.902 ± 0.006 Å
• b: 19.455 ± 0.009 Å
• c: 17.797 ± 0.01 Å
• α: 90°
• β: 108.79 ± 0.008°
• γ: 90°
• Cell volume: 3901 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No