Information card for entry 7123047

Structure parameters

• Formula: C70 H96 Au4 Cu2 N8 O28 P4 Pd2 S4
• Calculated formula: C70 H80 Au4 Cu2 N8 O28 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: 16.8393 ± 0.0017 Å
• b: 20.715 ± 0.002 Å
• c: 26.283 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9168.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1399
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.7002 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No