Information card for entry 7123046

Structure parameters

• Formula: C70 H90 Au4 Cu2 N8 O25 P4 Pd2 S4
• Calculated formula: C70 H80 Au4 Cu2 N8 O25 P4 Pd2 S4
• 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: 20.842 ± 0.004 Å
• b: 17.342 ± 0.004 Å
• c: 25.184 ± 0.005 Å
• α: 90°
• β: 96.43 ± 0.02°
• γ: 90°
• Cell volume: 9045 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No