Information card for entry 7706916

Structure parameters

• Formula: C46 H88 Fe N3 Si2
• Calculated formula: C46 H88 Fe N3 Si2
• SMILES: [Fe](N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)c1c(C(C)C)cccc1C(C)C.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR₃)₂] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.
• Authors of publication: Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 4890 - 4903
• a: 18.298 ± 0.002 Å
• b: 13.827 ± 0.001 Å
• c: 21.446 ± 0.003 Å
• α: 90°
• β: 114.323 ± 0.01°
• γ: 90°
• Cell volume: 4944.4 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No