Information card for entry 7053034

Structure parameters

• Formula: C41 H68 Hf N2 O4
• Calculated formula: C41 H68 Hf N2 O4
• SMILES: c12c(cc(cc1C=[N](c1c(cccc1C(C)C)C(C)C)[Hf]([N]#CC)(O2)(OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Imino phenoxide complexes of group 4 metals: synthesis, structural characterization and polymerization studies
• Authors of publication: Saha, Tanmoy Kumar; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 4
• Pages of publication: 949
• a: 16.4326 ± 0.0009 Å
• b: 21.783 ± 0.0011 Å
• c: 25.0841 ± 0.0013 Å
• α: 88.239 ± 0.002°
• β: 85.703 ± 0.002°
• γ: 79.019 ± 0.002°
• Cell volume: 8788.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0818
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No