Information card for entry 4306772

Structure parameters

• Formula: C37 H90 N10 O5 Zn3
• Calculated formula: C37 H90 N10 O5 Zn3
• SMILES: [Zn]123([O]([C@H](C[N]2(C)C)CN(C)C)[Zn]24([O]([C@@H](C[N]5(C)C)CN(C)C)[Zn]56([O]2[C@H](C[N]4(C)C)CN(C)C)O[C@@H](C[N]6(C)C)CN(C)C)[O]1[C@@H](C[N]3(C)C)CN(C)C)CC.[Zn]123([O]([C@@H](C[N]2(C)C)CN(C)C)[Zn]24([O]([C@H](C[N]5(C)C)CN(C)C)[Zn]56([O]2[C@@H](C[N]4(C)C)CN(C)C)O[C@H](C[N]6(C)C)CN(C)C)[O]1[C@H](C[N]3(C)C)CN(C)C)CC
• Title of publication: Organozinc Aminoalcoholates: Synthesis, Structure, and Materials Chemistry
• Authors of publication: Andrew L. Johnson; Nathan Hollingsworth; Gabriele Kociok-Köhn; Kieran C. Molloy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 12040 - 12048
• a: 11.0851 ± 0.0003 Å
• b: 12.4696 ± 0.0003 Å
• c: 20.6063 ± 0.0007 Å
• α: 100.388 ± 0.001°
• β: 95.953 ± 0.001°
• γ: 113.042 ± 0.001°
• Cell volume: 2529.89 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No