Information card for entry 7023989

Structure parameters

• Formula: C60.5 H69 Cl N4 O4 Si2 Sn2
• Calculated formula: C60 H68 N4 O4 Si2 Sn2
• SMILES: [Sn]1(O[Si](O[Sn](O[Si](O1)(c1ccccc1)c1ccccc1)(c1c(cccc1CN(C)C)CN(C)C)c1ccccc1)(c1ccccc1)c1ccccc1)(c1c(cccc1CN(C)C)CN(C)C)c1ccccc1
• Title of publication: Straightforward synthesis of novel cyclic metallasiloxanes supported by an N,C,N-chelating ligand.
• Authors of publication: Fridrichová, Adéla; Mairychová, Barbora; Padělková, Zdeňka; Lyčka, Antonín; Jurkschat, Klaus; Jambor, Roman; Dostál, Libor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 46
• Pages of publication: 16403 - 16411
• a: 17.5356 ± 0.0003 Å
• b: 16.2802 ± 0.0003 Å
• c: 21.3586 ± 0.0004 Å
• α: 90°
• β: 100.403 ± 0.002°
• γ: 90°
• Cell volume: 5997.29 ± 0.19 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: 0.0323
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No