Information card for entry 7128250

Structure parameters

• Formula: C36 H60 Cu4 N12 Na8 O24 Rh4 S12
• Calculated formula: C36 H60 Cu4 N12 Na8.0001 O24 Rh4 S12
• 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: 23.5649 ± 0.0002 Å
• b: 23.5649 ± 0.0002 Å
• c: 23.5649 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13085.7 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No