Information card for entry 1568864

Structure parameters

• Formula: C92.85 H135.3 Ca2 N4
• Calculated formula: C92.8432 H135.301 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: 47.9193 ± 0.0006 Å
• b: 12.7914 ± 0.0002 Å
• c: 27.3845 ± 0.0004 Å
• α: 90°
• β: 98.7696 ± 0.0012°
• γ: 90°
• Cell volume: 16589.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0457
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No