Information card for entry 4332374

Structure parameters

• Formula: C11 H25 Cl2 N3 O Zr
• Calculated formula: C11 H25 Cl2 N3 O Zr
• SMILES: C1C[O]2CCN3CC(C[NH]1[Zr]23(Cl)(N(C)C)Cl)(C)C
• 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: 8.598 ± 0.005 Å
• b: 12.572 ± 0.004 Å
• c: 28.968 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3131 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.1263
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No