Information card for entry 1573851

Structure parameters

• Formula: C122 H170 Mg4 N8 P8
• Calculated formula: C122 H170 Mg4 N8 P8
• Title of publication: Tuning the selectivity of P₄ reduction at alkaline-earth metal centres.
• Authors of publication: Thum, Stefan; Townrow, Oliver P. E.; Langer, Jens; Harder, Sjoerd
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 4528 - 4536
• a: 26.4049 ± 0.0005 Å
• b: 18.7396 ± 0.0002 Å
• c: 27.4993 ± 0.0005 Å
• α: 90°
• β: 118.57 ± 0.003°
• γ: 90°
• Cell volume: 11950.2 ± 0.5 ų
• Cell temperature: 99.98 ± 0.19 K
• Ambient diffraction temperature: 99.98 ± 0.19 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: 0.058
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No