Information card for entry 4081009

Structure parameters

• Formula: C33 H51 I N4 Si2 Zr
• Calculated formula: C33 H51 I N4 Si2 Zr
• SMILES: I[Zr]12(N([Si](C)(C)C(C)(C)C)CC(CN1[Si](C)(C)C(C)(C)C)(C)c1[n]2cccc1)N(c1ccccc1)c1ccccc1
• Title of publication: Zirconium Hydrazides as Metallanitrene Synthons: Release of Molecular N2from a Hydrazinediido Complex Induced by Oxidative N‒N Bond Cleavage
• Authors of publication: Gehrmann, Thorsten; Lloret-Fillol, Julio; Herrmann, Heike; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 3877
• a: 9.783 ± 0.005 Å
• b: 10.379 ± 0.005 Å
• c: 19.01 ± 0.009 Å
• α: 91.185 ± 0.008°
• β: 99.162 ± 0.012°
• γ: 102.473 ± 0.011°
• Cell volume: 1857.6 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0378
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No