Information card for entry 7016142

Structure parameters

• Formula: C110 H120 Ge2 O10 Si4
• Calculated formula: C110 H120 Ge2 O10 Si4
• SMILES: C[Si](C)(C)Oc1c2Cc3c(O)c(Cc4cccc(c4O[Si](C)(C)C)Cc4cccc5c4O[Ge]4[O]6c7c8Cc9cccc(Cc%10cccc(Cc%11cccc(Cc%12c(O[Si](C)(C)C)c(Cc7ccc8)ccc%12)c%11O)c%10O[Si](C)(C)C)c9O[Ge]6[O]4c4c(C5)cccc4Cc1ccc2)ccc3.c1ccccc1C.c1ccccc1C.c1ccccc1C.c1ccccc1C
• Title of publication: A divalent germanium complex of calix[5]arene.
• Authors of publication: Schrick, Aaron C.; Rheingold, Arnold L.; Weinert, Charles S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 25
• Pages of publication: 6629 - 6631
• a: 13.6884 ± 0.0009 Å
• b: 14.1898 ± 0.0018 Å
• c: 14.3933 ± 0.001 Å
• α: 96.451 ± 0.005°
• β: 117.15 ± 0.003°
• γ: 99.266 ± 0.005°
• Cell volume: 2399.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No