Information card for entry 1561274

Structure parameters

• Formula: C12 H27 Cl5 In N2 O S2
• Calculated formula: C12 H27 Cl5 In N2 O S2
• SMILES: [In](Cl)(Cl)(Cl)(Cl)(Cl)OC=C(C)C.S1CC[NH2+]CC1.S1CC[NH2+]CC1
• Title of publication: Reversible Luminescent Vapochromism of a Zero-Dimensional Sb³⁺-Doped Organic-Inorganic Hybrid.
• Authors of publication: Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2021
• Pages of publication: 3288 - 3294
• a: 11.7611 ± 0.0006 Å
• b: 12.5257 ± 0.0006 Å
• c: 15.0163 ± 0.0008 Å
• α: 90°
• β: 96.853 ± 0.002°
• γ: 90°
• Cell volume: 2196.34 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0206
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No