Information card for entry 4081481

Structure parameters

• Chemical name: 1-Chlorido-1-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)- 3,3,14,14-tetramethyl-3,14-disila-1-stanna[5,5]- ferrocenophane
• Formula: C26 H43 Cl Fe O4 Si2 Sn
• Calculated formula: C26 H43 Cl Fe O4 Si2 Sn
• SMILES: [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[Si](C[Sn]1(Cl)([O]2CC(C1)COCCOCCOCC2)C[Si](C)(C)[c]15[cH]9[cH]8[cH]7[cH]61)(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: 32.4255 ± 0.0014 Å
• b: 10.5826 ± 0.0005 Å
• c: 17.6993 ± 0.0007 Å
• α: 90°
• β: 95.689 ± 0.004°
• γ: 90°
• Cell volume: 6043.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 0.634
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No