Information card for entry 4081483

Structure parameters

• Chemical name: 1-Fluorido-1-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)- 3,3,14,14-tetramethyl-3,14-disila-1-stanna[5,5]- ferrocenophane
• Formula: C26 H43 F Fe O4 Si2 Sn
• Calculated formula: C26 H43 F Fe O4 Si2 Sn
• SMILES: [Sn]12(F)(C[C@@H]3C[O]1CCOCCOCCOC3)C[Si](C)(C)[c]13[Fe]456789%10([cH]1[cH]4[cH]5[cH]36)[c]1([cH]%10[cH]9[cH]8[cH]71)[Si](C2)(C)C
• Title of publication: Novel Tin-Containing Crown Ether Substituted Ferrocenophanes as Redox-Active Hosts for the Ditopic Complexation of Lithium Chloride
• Authors of publication: Wendji, Anicet Siakam; Lutter, Michael; Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 20
• Pages of publication: 5720
• a: 11.4441 ± 0.0005 Å
• b: 14.931 ± 0.001 Å
• c: 17.1827 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2936 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No