Information card for entry 1573852

Structure parameters

• Formula: C74 H114 Mg2 N4 P4
• Calculated formula: C74 H114 Mg2 N4 P4
• 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: 26.1211 ± 0.0005 Å
• b: 21.8425 ± 0.0004 Å
• c: 12.8482 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7330.5 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.2342
• Weighted residual factors for all reflections included in the refinement: 0.2547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No