Information card for entry 4307826

Structure parameters

• Formula: C68 H92 Hf O5 P2
• Calculated formula: C68 H92 Hf O5 P2
• SMILES: c12c(cc(cc1[P]1(c3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O[Hf]341(O2)(Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)[P]4(c1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)c1ccccc1)[OH2])c1ccccc1)C(C)(C)C)C(C)(C)C
• Title of publication: Biphenolate Phosphine Complexes of Group 4 Metals
• Authors of publication: Lan-Chang Liang; Yu-Ning Chang; Hon Man Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2666 - 2673
• a: 13.328 ± 0.005 Å
• b: 15.052 ± 0.006 Å
• c: 18.924 ± 0.007 Å
• α: 67.765 ± 0.006°
• β: 75.82 ± 0.007°
• γ: 81.975 ± 0.008°
• Cell volume: 3402 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2569
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No