Information card for entry 1572149

Structure parameters

• Formula: C30 H38 N4 O P2
• Calculated formula: C30 H38 N4 O P2
• Title of publication: Macrocyclic bis-diphosphenes demonstrating bimetallic exo- and endo-cyclic binding modes
• Authors of publication: Kreimer, Lisa N.; Hadlington, Terrance
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 10.84 ± 0.002 Å
• b: 23.82 ± 0.005 Å
• c: 26.54 ± 0.005 Å
• α: 90°
• β: 100.2 ± 0.03°
• γ: 90°
• Cell volume: 6745 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1688
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No