Information card for entry 1572144

Structure parameters

• Formula: C82 H120 N8 Ni2 O2 P4
• Calculated formula: C82 H120 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: 10.76 ± 0.002 Å
• b: 12.31 ± 0.003 Å
• c: 15.63 ± 0.003 Å
• α: 97.5 ± 0.03°
• β: 99.4 ± 0.03°
• γ: 96 ± 0.03°
• Cell volume: 2008.2 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No