Information card for entry 1568861

Structure parameters

• Formula: C90 H134 Ca Mg N4
• Calculated formula: C90 H134 Ca Mg N4
• Title of publication: On the existence of low-valent magnesium-calcium complexes.
• Authors of publication: Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4724 - 4734
• a: 12.38232 ± 0.00018 Å
• b: 28.8484 ± 0.0003 Å
• c: 21.8547 ± 0.0002 Å
• α: 90°
• β: 93.1984 ± 0.0012°
• γ: 90°
• Cell volume: 7794.56 ± 0.16 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.044
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No