Information card for entry 7128252

Structure parameters

• Formula: C36 H60 Cu6 N12 Na3 O36 Rh4 S13
• Calculated formula: C36 H60 Cu6 N12 Na3 O36 Rh4 S13
• Title of publication: Transformations of empty Cu core to CuCuO and CuS cores <i>via</i> oxide and sulfide insertions.
• Authors of publication: Fukuda, Yosuke; Yoshinari, Nobuto; Yamagami, Kohei; Konno, Takumi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 44
• Pages of publication: 5386 - 5389
• a: 15.6933 ± 0.0003 Å
• b: 29.5973 ± 0.0004 Å
• c: 15.8253 ± 0.0003 Å
• α: 90°
• β: 119.634 ± 0.002°
• γ: 90°
• Cell volume: 6389.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1056
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.4126 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No