Information card for entry 2021105

Structure parameters

• Chemical name: Octakis(μ~3~-benzyloxo-κ<i>O</i>:κ<i>O</i>:κ<i>O</i>)hexaethylheptazinc
• Formula: C68 H86 O8 Zn7
• Calculated formula: C68 H86 O8 Zn7
• Title of publication: Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures
• Authors of publication: Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 548 - 557
• a: 13.9163 ± 0.0005 Å
• b: 20.4248 ± 0.0007 Å
• c: 23.0316 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6546.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes