Information card for entry 4318295

Structure parameters

• Formula: C16 H40 I4 N4 Zr2
• Calculated formula: C16 H40 I4 N4 Zr2
• SMILES: C(C)N(CC)[Zr]1([I][Zr]([I]1)(I)(N(CC)CC)N(CC)CC)(I)N(CC)CC
• Title of publication: Synthesis and Structures of Zirconium Amide-Iodide Complexes
• Authors of publication: Jean-Sébastien M. Lehn; David M. Hoffman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4063 - 4067
• a: 8.149 ± 0.002 Å
• b: 13.48 ± 0.003 Å
• c: 14.42 ± 0.003 Å
• α: 90°
• β: 100.44 ± 0.01°
• γ: 90°
• Cell volume: 1557.8 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No