Information card for entry 7118791

Structure parameters

• Formula: C64 H80 Cl F18 N28 Ni4 O4 P3
• Calculated formula: C64 H80 Cl F18 N28 Ni4 O4 P3
• Title of publication: Capsoplexes: encapsulating complexes via guest recognition.
• Authors of publication: Altmann, Philipp J.; Pöthig, Alexander
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 58
• Pages of publication: 9089 - 9092
• a: 16.233 ± 0.003 Å
• b: 31.342 ± 0.005 Å
• c: 15.432 ± 0.002 Å
• α: 90°
• β: 95.632 ± 0.01°
• γ: 90°
• Cell volume: 7814 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.0898
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No