Information card for entry 7023737

Structure parameters

• Common name: tetrakis(amidate) hafnium, 6
• Formula: C60 H56 Hf N4 O4
• Calculated formula: C60 H56 Hf N4 O4
• SMILES: C1(c2ccccc2)=[N](c2c(cccc2C)C)[Hf]234([N](=C(c5ccccc5)O2)c2c(C)cccc2C)([N](=C(c2ccccc2)O3)c2c(C)cccc2C)([N](=C(c2ccccc2)O4)c2c(C)cccc2C)O1
• Title of publication: Synthesis, structure, and reactivity of tris(amidate) mono(amido) and tetrakis(amidate) complexes of group 4 transition metals.
• Authors of publication: Payne, Philippa R.; Thomson, Robert K.; Medeiros, Diane M.; Wan, Geoff; Schafer, Laurel L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 44
• Pages of publication: 15670 - 15677
• a: 11.008 ± 0.0007 Å
• b: 11.008 ± 0.001 Å
• c: 21.318 ± 0.002 Å
• α: 90 ± 0°
• β: 90 ± 0°
• γ: 90 ± 0°
• Cell volume: 2583.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0824
• 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: No
• Has Fobs: No