Information card for entry 1565532

Structure parameters

• Formula: C20 H36 Cl7 N4 O2 Sb
• Calculated formula: C20 H36 Cl7 N4 O2 Sb
• SMILES: C1C[NH+](CC[NH2+]1)c1ccccc1.O.[Cl-].Cl[Sb](Cl)([Cl-])Cl.[Cl-].C1C[NH+](CC[NH2+]1)c1ccccc1.O.[Cl-]
• Title of publication: Guest-Induced Reversible Phase Transformation of Organic–Inorganic Phenylpiperazinium Antimony (III) Chlorides with Solvatochromic Photoluminescence
• Authors of publication: Li, Xianli; Peng, Chao; Xiao, Yonghong; Xue, Dongfeng; Luo, Binbin; Huang, Xiao-Chun
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2021
• Journal volume: 125
• Journal issue: 45
• Pages of publication: 25112 - 25118
• a: 15.8872 ± 0.0003 Å
• b: 27.0504 ± 0.0005 Å
• c: 8.1864 ± 0.0002 Å
• α: 90°
• β: 101.837 ± 0.002°
• γ: 90°
• Cell volume: 3443.33 ± 0.13 ų
• Cell temperature: 298.86 ± 0.1 K
• Ambient diffraction temperature: 298.86 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No