Information card for entry 4072848

Structure parameters

• Common name: in_paper_6
• Formula: C68 H72 N4 O4 Zr2
• Calculated formula: C68 H72 N4 O4 Zr2
• Title of publication: Structure−Activity Relationships for Group 4 Biaryl Amidate Complexes in Catalytic Hydroamination/Cyclization of Aminoalkenes
• Authors of publication: Gott, Andrew L.; Clarke, Adam J.; Clarkson, Guy J.; Scott, Peter
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1729
• a: 15.5157 ± 0.0012 Å
• b: 21.5593 ± 0.0016 Å
• c: 18.1187 ± 0.0014 Å
• α: 90°
• β: 100.58 ± 0.005°
• γ: 90°
• Cell volume: 5957.8 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No