Information card for entry 7004478

Structure parameters

• Formula: C39 H59 F3 Hf N6 O3 S Si2
• Calculated formula: C39 H59 F3 Hf N6 O3 S Si2
• SMILES: C1C2(CN([Hf](N1[Si](C)(C)C(C)(C)C)([n]1c2cccc1)(N=n1ccccc1)([n]1ccccc1)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C(C)(C)C)C.c1(ccccc1)C
• 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: 10.8631 ± 0.0007 Å
• b: 13.8086 ± 0.0009 Å
• c: 31.0427 ± 0.0019 Å
• α: 83.647 ± 0.001°
• β: 82.736 ± 0.001°
• γ: 75.628 ± 0.001°
• Cell volume: 4459.4 ± 0.5 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: 0.0456
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.335
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No