Information card for entry 7103415

Structure parameters

• Formula: C22 H31 I2 N5 Zr
• Calculated formula: C22 H31 I2 N5 Zr
• Title of publication: An improved method for the synthesis of zirconium (CCC-N-heterocyclic carbene) pincer complexes and applications in hydroamination.
• Authors of publication: Cho, Joon; Hollis, T Keith; Helgert, Theodore R; Valente, Edward J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 40
• Pages of publication: 5001 - 5003
• a: 10.1754 ± 0.0002 Å
• b: 23.4958 ± 0.0004 Å
• c: 10.878 ± 0.0002 Å
• α: 90°
• β: 98.495 ± 0.002°
• γ: 90°
• Cell volume: 2572.17 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No