Information card for entry 4079291

Structure parameters

• Formula: C52 H42 B2 F30 O6 Si4 Zn
• Calculated formula: C52 H42 B2 F30 O6 Si4 Zn
• SMILES: [Zn]12345[O]([Si]([Si]([Si]([O]2CC[O]3C)(C)C)([Si]([O]4CC[O]5C)(C)C)[B](c2c(c(c(c(c2F)F)F)F)F)(c2c(c(c(c(c2F)F)F)F)F)c2c(c(c(c(c2F)F)F)F)F)(C)C)CC[O]1C.C[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Synthesis and Structure of Zwitterionic Silylborates and Silylzincates with Pendant Polydonor Arms
• Authors of publication: Li, Hui; Hung-Low, Fernando; Krempner, Clemens
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7117
• a: 13.074 ± 0.004 Å
• b: 23.738 ± 0.007 Å
• c: 20.501 ± 0.006 Å
• α: 90°
• β: 106.964 ± 0.002°
• γ: 90°
• Cell volume: 6086 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0505
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No