Information card for entry 7004482

Structure parameters

• Formula: C54 H92 F6 N10 O6 S2 Si4 Zr2
• Calculated formula: C54 H92 F6 N10 O6 S2 Si4 Zr2
• SMILES: C1C2(C)c3cccc[n]3[Zr]3(N1[Si](C)(C)C(C)(C)C)(N(C2)[Si](C)(C)C(C)(C)C)(N=n1ccccc1)[O]=S(O[Zr]12(N(CC(CN1[Si](C)(C)C(C)(C)C)(C)c1cccc[n]21)[Si](C)(C)C(C)(C)C)(N=n1ccccc1)[O]=S(O3)(=O)C(F)(F)F)(=O)C(F)(F)F
• Title of publication: Zirconium and hafnium (1-pyridinio)imido complexes: functionalized terminal hydrazinediido analogues
• Authors of publication: Herrmann, Heike; Gehrmann, Thorsten; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6231 - 6241
• a: 10.451 ± 0.003 Å
• b: 10.513 ± 0.003 Å
• c: 16.952 ± 0.005 Å
• α: 101.762 ± 0.006°
• β: 90.268 ± 0.006°
• γ: 109.007 ± 0.005°
• Cell volume: 1718.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No