Information card for entry 1572148

Structure parameters

• Formula: C82 H120 Cl2 Cu2 N8 Ni2 O2 P4
• Calculated formula: C82 H120 Cl2 Cu2 N8 Ni2 O2 P4
• 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: 35.655 ± 0.005 Å
• b: 35.655 ± 0.005 Å
• c: 15.13 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19234 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1511
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No