Information card for entry 4082454

Structure parameters

• Formula: C62.5 H65 Cl N3 P Zr
• Calculated formula: C59 H61 Cl N3 P Zr
• Title of publication: A Novel Trisamidophosphine Ligand and Its Group(IV) Metal Complexes
• Authors of publication: Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 612
• a: 10.53327 ± 0.00016 Å
• b: 15.8299 ± 0.0002 Å
• c: 16.9562 ± 0.0002 Å
• α: 69.1157 ± 0.0012°
• β: 80.036 ± 0.0012°
• γ: 80.887 ± 0.0012°
• Cell volume: 2587.29 ± 0.06 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 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: 0.0265
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No