Information card for entry 4302774

Structure parameters

• Formula: C45 H45 Cu F6 N4 O0.5 P
• Calculated formula: C45 H45 Cu F6 N4 O0.5 P
• Title of publication: Combining Dynamic Heteroleptic Complex Formation with Constitutional Dynamic Synthesis: A Facile Way to M3LL' Cage Assemblies
• Authors of publication: Jian Fan; Jan W. Bats; Michael Schmittel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6338 - 6340
• a: 25.05 ± 0.003 Å
• b: 16.122 ± 0.003 Å
• c: 23.306 ± 0.002 Å
• α: 90°
• β: 121.126 ± 0.008°
• γ: 90°
• Cell volume: 8057 ± 2 ų
• Cell temperature: 171 ± 2 K
• Ambient diffraction temperature: 171 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No