Information card for entry 7035427

Structure parameters

• Formula: C99 H109 Na2 O10 Si4
• Calculated formula: C99 H109 Na2 O10 Si4
• SMILES: c1(c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[Si]12O[Si]3([OH][Na]4([OH]2)[OH][Si]2(O[Si]([OH][Na](O1)([OH]3)O2)(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[OH]4)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1ccccc1
• Title of publication: Dimer formation upon deprotonation: synthesis and structure of a m-terphenyl substituted (R,S)-dilithium disiloxanolate disilanol.
• Authors of publication: Čas, Daniel; Hurkes, Natascha; Spirk, Stefan; Belaj, Ferdinand; Bruhn, Clemens; Rechberger, Gerald N.; Pietschnig, Rudolf
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12818 - 12823
• a: 22.4147 ± 0.0011 Å
• b: 16.9077 ± 0.0011 Å
• c: 46.234 ± 0.002 Å
• α: 90°
• β: 99.496 ± 0.004°
• γ: 90°
• Cell volume: 17281.7 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1912
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 0.781
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No