Information card for entry 7224382

Structure parameters

• Formula: C46 H62 Cl6 Hf2 N8 O6
• Calculated formula: C46 H62 Cl6 Hf2 N8 O6
• SMILES: c12c(cc(cc1C=[N]1C(=C(C#N)N[Hf]31([O](CC)[Hf]14([N](=Cc5c(c(cc(c5)C)C(C)(C)C)O4)C(=C(C#N)N1)C#N)([O]3CC)OC(C)(C)C)(O2)OC(C)(C)C)C#N)C)C(C)(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Group 4 alkoxide complexes containing [NNO]-type scaffold: synthesis, structural characterization and polymerization studies
• Authors of publication: Mandal, Dipa; Chakraborty, Debashis; Ramkumar, Venkatachalam; Chand, Dillip Kumar
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 26
• Pages of publication: 21706
• a: 9.6702 ± 0.0003 Å
• b: 10.9556 ± 0.0003 Å
• c: 14.5845 ± 0.0004 Å
• α: 108.448 ± 0.001°
• β: 90.6828 ± 0.0011°
• γ: 101.232 ± 0.001°
• Cell volume: 1433.15 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No