Information card for entry 4078078

Structure parameters

• Formula: C63 H102 Cl4 N6 O4 Zr3
• Calculated formula: C63 H102 Cl4 N6 O4 Zr3
• 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: 15.531 ± 0.004 Å
• b: 18.501 ± 0.004 Å
• c: 18.531 ± 0.006 Å
• α: 59.979 ± 0.01°
• β: 66.87 ± 0.009°
• γ: 79.767 ± 0.007°
• Cell volume: 4239 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1083
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2462
• Weighted residual factors for all reflections included in the refinement: 0.2581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No