Information card for entry 7126021

Structure parameters

• Formula: C12 H48 In6 N6 S12
• Calculated formula: C6 H24 In6 N3 S12
• Title of publication: Di-lacunary [In₆S₁₅]^12- cluster: the building block of a highly negatively charged framework for superior Sr²⁺ adsorption capacities.
• Authors of publication: Wang, Kai-Yao; Sun, Meng; Ding, Dong; Liu, Hua-Wei; Cheng, Lin; Wang, Cheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 23
• Pages of publication: 3409 - 3412
• a: 9.742 ± 0.0002 Å
• b: 14.4225 ± 0.0003 Å
• c: 28.1311 ± 0.0005 Å
• α: 90°
• β: 93.409 ± 0.002°
• γ: 90°
• Cell volume: 3945.54 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2606
• Weighted residual factors for all reflections included in the refinement: 0.2691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No