Information card for entry 1572143

Structure parameters

• Formula: C50 H78 Cl2 Ge N6 O1.5 P2
• Calculated formula: C50 H77.9985 Cl2 Ge N6 O1.5 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: 17.37 ± 0.004 Å
• b: 18.92 ± 0.004 Å
• c: 33.75 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11092 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1609
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2137
• Weighted residual factors for all reflections included in the refinement: 0.2622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No