Information card for entry 4306773

Structure parameters

• Formula: C22 H54 N6 O2 Zn2
• Calculated formula: C22 H54 N6 O2 Zn2
• SMILES: [O]12C(CN(C)C)(CN(C)C)C[N](C)(C)[Zn]2([O](C(CN(C)C)(CN(C)C)C[N]2(C)C)[Zn]21C)C
• 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: 9.908 ± 0.0001 Å
• b: 13.723 ± 0.0002 Å
• c: 11.642 ± 0.0001 Å
• α: 90°
• β: 113.276 ± 0.001°
• γ: 90°
• Cell volume: 1454.1 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0262
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No