Information card for entry 7107404

Structure parameters

• Formula: C39 H76 N6 S Si4 Zr
• Calculated formula: C39 H76 N6 S Si4 Zr
• SMILES: [Zr]123(N([Si](C)(C)C(C)(C)C)CC(CN1[Si](C)(C)C(C)(C)C)(C)c1[n]2cccc1)N(S(N3[Si](C)(C)C)=N[Si](C)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Stitching together SNx units in the coordination sphere of zirconium: assembly of a tris(imido)sulfite and a hydrazidobis(imido)sulfite
• Authors of publication: Thorsten Gehrmann; Matthias Kruck; Hubert Wadepohl; Lutz H. Gade
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2397
• a: 24.884 ± 0.011 Å
• b: 27.141 ± 0.012 Å
• c: 14.484 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9782 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No