Information card for entry 7702282

Structure parameters

• Formula: C64 H84 Br8 Mg4 N4 O14
• Calculated formula: C64 H84 Br8 Mg4 N4 O14
• Title of publication: Syntheses, structures and catalytic activity of tetranuclear Mg complexes in the ROP of cyclic esters under industrially relevant conditions.
• Authors of publication: Ghosh, Swarup; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 375 - 387
• a: 14.691 ± 0.0013 Å
• b: 21.9463 ± 0.0018 Å
• c: 22.837 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7362.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No