Information card for entry 1568862

Structure parameters

• Formula: C84 H122 Ca2 N4
• Calculated formula: C84 H122 Ca2 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: 29.7787 ± 0.0003 Å
• b: 16.8207 ± 0.0002 Å
• c: 14.94992 ± 0.00017 Å
• α: 90°
• β: 90.0659 ± 0.001°
• γ: 90°
• Cell volume: 7488.39 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No