Information card for entry 1572146

Structure parameters

• Formula: C22.5 H34 N2 Ni0.5 O P
• Calculated formula: C22.5 H34 N2 Ni0.5 O P
• 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: 15.304 ± 0.003 Å
• b: 34.054 ± 0.007 Å
• c: 9.7484 ± 0.0019 Å
• α: 90°
• β: 97.35 ± 0.03°
• γ: 90°
• Cell volume: 5038.8 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.2087
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.2419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No