Information card for entry 7703670

Structure parameters

• Formula: C16 H36 Bi3 I9 O8 S8
• Calculated formula: C16 H36 Bi3 I9 O8 S8
• SMILES: [Bi]12(I)(I)(I)[I][Bi]([I]1)([I]2)(I)(I)I.[Bi]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C
• Title of publication: Non-transient thermo-/photochromism of iodobismuthate hybrids directed by solvated metal cations.
• Authors of publication: Hao, Pengfei; Wang, Weipin; Shen, Junju; Fu, Yunlong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1847 - 1853
• a: 11.958 ± 0.003 Å
• b: 15.817 ± 0.004 Å
• c: 16.28 ± 0.005 Å
• α: 82.222 ± 0.006°
• β: 69.979 ± 0.006°
• γ: 78.914 ± 0.006°
• Cell volume: 2831 ± 1.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.2368
• Residual factor for significantly intense reflections: 0.1541
• Weighted residual factors for significantly intense reflections: 0.3401
• Weighted residual factors for all reflections included in the refinement: 0.3981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No