Information card for entry 7702281

Structure parameters

• Formula: C80 H124 Mg4 N4 O14
• Calculated formula: C80 H124 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: 11.1387 ± 0.0007 Å
• b: 20.399 ± 0.0013 Å
• c: 17.5736 ± 0.0011 Å
• α: 90°
• β: 91.793 ± 0.004°
• γ: 90°
• Cell volume: 3991.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No