Information card for entry 7123045

Structure parameters

• Formula: C142 H258 Au8 N8 O63 P8 Pd4 S8
• Calculated formula: C142 H165 Au8 N8 O63 P8 Pd4 S8
• Title of publication: Crystal-to-crystal interconversion of open and closed dicopper(II) paddle-wheels in a heterotrimetallic coordination polymer
• Authors of publication: Ohwaki, Hayato; Yoshinari, Nobuto; Konno, Takumi
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 16.2767 ± 0.0003 Å
• b: 37.3828 ± 0.0007 Å
• c: 16.9637 ± 0.0003 Å
• α: 90°
• β: 99.887 ± 0.007°
• γ: 90°
• Cell volume: 10168.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No