Information card for entry 7250655

Structure parameters

• Formula: C164 H186 Bi2 Ni4 O20 S16
• Calculated formula: C164 H186 Bi2 Ni4 O20 S16
• Title of publication: Bismuth-based heterometallic clusters capped by thiacalixarene for visible-light photothermal conversion
• Authors of publication: Chen, Tianxia; Zou, Yuhan; Mao, Dongao; Bi, Yanfeng
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 3528 - 3536
• a: 13.8454 ± 0.001 Å
• b: 19.0729 ± 0.0013 Å
• c: 19.6074 ± 0.0014 Å
• α: 67.17 ± 0.003°
• β: 80.576 ± 0.003°
• γ: 85.808 ± 0.003°
• Cell volume: 4707.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No