Information card for entry 4319996

Structure parameters

• Formula: C102 H190 Cl2 Mg4 O32 Si14
• Calculated formula: C94 H174 Cl2 Mg4 O30 Si14
• SMILES: Cl[Mg]1([O]2[Mg]34[O]5[Si]6(C7CCCC7)O[Si@@]7(O[Si@]2(O[Si]2(C8CCCC8)O[Si@]([O]8[Mg]95[O]([Mg]8(Cl)[O]5CCCC5)[Si@@]5(O[Si@@]8(O[Si]([O]49)(O[Si@@]4(O[Si@]([O]13)(O[Si](C1CCCC1)(O5)O[Si](C1CCCC1)(O8)O4)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)(O[Si@@](O6)(C1CCCC1)O[Si](C1CCCC1)(O7)O2)C1CCCC1)C1CCCC1)C1CCCC1)[O]1CCCC1.C1CCCO1.C1CCCO1.C1CCCO1.C1CCCO1
• Title of publication: Synthesis, Structural Characterization, and Transmetalation Reactions of a Tetranuclear Magnesium Silsesquioxane Complex
• Authors of publication: R. W. J. M. Hanssen; A. Meetsma; R. A. van Santen; H. C. L. Abbenhuis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4049 - 4052
• a: 15.744 ± 0.001 Å
• b: 26.526 ± 0.002 Å
• c: 16.917 ± 0.001 Å
• α: 90°
• β: 113.229 ± 0.002°
• γ: 90°
• Cell volume: 6492.3 ± 0.8 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1194
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No