Information card for entry 4087376

Structure parameters

• Formula: C32 H39 Cl2 F12 Hf N O5
• Calculated formula: C32 H39 Cl2 F12 Hf N O5
• SMILES: [Hf]12(Cl)(Cl)(OC(c3c([NH]2c2c(C(O1)(C(F)(F)F)C(F)(F)F)cc(cc2)C)ccc(c3)C)(C(F)(F)F)C(F)(F)F)([O]1CCCC1)[O]1CCCC1.O(CC)CC
• Title of publication: Synthesis and Characterization of Group 4 Trianionic ONO3‒ Pincer-Type Ligand Complexes and a Rare Case of Through-Space 19F‒19F Coupling
• Authors of publication: Nadif, Soufiane S.; Pedziwiatr, Jakub; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 1107
• a: 11.4548 ± 0.0004 Å
• b: 12.7684 ± 0.0005 Å
• c: 12.8371 ± 0.0005 Å
• α: 99.534 ± 0.001°
• β: 92.205 ± 0.001°
• γ: 91.952 ± 0.001°
• Cell volume: 1848.68 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0161
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No