Information card for entry 2241438

Structure parameters

• Chemical name: Tris(dimethylamido-κ<i>N</i>)bis(dimethylamine-κ<i>N</i>)zirconium(IV) iodide
• Formula: C10 H32 I N5 Zr
• Calculated formula: C10 H32 I N5 Zr
• SMILES: C[NH](C)[Zr]([NH](C)C)(N(C)C)(N(C)C)N(C)C.[I-]
• Title of publication: Crystal structure of tris(dimethylamido-κ<i>N</i>)bis(dimethylamine-κ<i>N</i>)zirconium(IV) iodide
• Authors of publication: Clark, Wesley D.; Akurathi, Gopalakrishna; Valle, Henry U.; Hollis, T. Keith
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 73 - 75
• a: 14.2425 ± 0.0003 Å
• b: 15.4113 ± 0.0003 Å
• c: 16.8537 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3699.31 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0173
• Residual factor for significantly intense reflections: 0.0146
• Weighted residual factors for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes