Information card for entry 7041322

Structure parameters

• Formula: C30 H56 B N3 O3 Si4 Zn
• Calculated formula: C30 H56 B N3 O3 Si4 Zn
• SMILES: [Zn]12([N]3C(C)(C)COC=3[B](C3=[N]1C(C)(C)CO3)(C1=[N]2C(C)(C)CO1)c1ccccc1)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Unexpected alkane elimination from cationic group 13 dialkyls in a reaction with a macrocyclic polyamine.
• Authors of publication: Mukherjee, Debabrata; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 651 - 655
• a: 10.242 ± 0.004 Å
• b: 11.576 ± 0.004 Å
• c: 17.786 ± 0.007 Å
• α: 92.073 ± 0.006°
• β: 106.24 ± 0.006°
• γ: 103.685 ± 0.006°
• Cell volume: 1955.2 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No