Information card for entry 7122359

Structure parameters

• Formula: C72 Mn12 O48 S3
• Calculated formula: C72 Mn12 O48 S3
• Title of publication: A semiconducting metal-chalcogenide-organic framework with square-planar tetra-coordinated sulfur.
• Authors of publication: Yang, Huajun; Luo, Min; Wu, Zhou; Wang, Wei; Xue, Chaozhuang; Wu, Tao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 80
• Pages of publication: 11272 - 11275
• a: 15.8573 ± 0.0006 Å
• b: 15.8573 ± 0.0006 Å
• c: 15.8573 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3987.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No