Information card for entry 7705864

Structure parameters

• Formula: C60 H52 Cl2 Hf N2 P4
• Calculated formula: C60 H52 Cl2 Hf N2 P4
• Title of publication: Asymmetric bis-PNP pincer complexes of zirconium and hafnium - a measure of hemilability.
• Authors of publication: Idelson, Celia; Webster, Leah; Krämer, Tobias; Chadwick, F. Mark
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16653 - 16656
• a: 11.07535 ± 0.00003 Å
• b: 13.14605 ± 0.00003 Å
• c: 20.39291 ± 0.00004 Å
• α: 84.873 ± 0.004°
• β: 86.804 ± 0.005°
• γ: 66.482 ± 0.005°
• Cell volume: 2710.97 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1028
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections: 0.2571
• Weighted residual factors for significantly intense reflections: 0.2129
• Weighted residual factors for all reflections included in the refinement: 0.2571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5867
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No