Information card for entry 4078076

Structure parameters

• Formula: C66 H82 N2 O Zr
• Calculated formula: C66 H82 N2 O Zr
• Title of publication: Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands
• Authors of publication: Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3228
• a: 12.963 ± 0.0003 Å
• b: 13.2343 ± 0.0004 Å
• c: 17.9935 ± 0.0005 Å
• α: 72.56 ± 0.001°
• β: 86.767 ± 0.001°
• γ: 76.777 ± 0.001°
• Cell volume: 2866.67 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No