Information card for entry 4332375

Structure parameters

• Formula: C33 H66 Cl4 N6 O2 Zr2
• Calculated formula: C33 H66 Cl4 N6 O2 Zr2
• Title of publication: Titanium(IV) and Zirconium(IV) Amido Complexes Derived from the Azaoxa Macrocycle 3,3-Dimethyl-1,5-diaza-8-oxacyclodecane
• Authors of publication: Porter, Robin M.; Danopoulos, Andreas A.; Reid, Gillian
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6516 - 6522
• a: 10.5836 ± 0.0007 Å
• b: 8.6093 ± 0.0004 Å
• c: 23.0627 ± 0.0016 Å
• α: 90°
• β: 97.982 ± 0.006°
• γ: 90°
• Cell volume: 2081.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No