Information card for entry 7037390

Structure parameters

• Formula: C10 H20 Bi Cl3 O5
• Calculated formula: C10 H20 Bi Cl3 O5
• SMILES: [Bi]1234(Cl)(Cl)(Cl)[O]5CC[O]1CC[O]2CC[O]3CC[O]4CC5
• Title of publication: Phase transition metal-crown ether coordination compounds tuned by metal ions.
• Authors of publication: Ye, Qiong; Wang, Hui-Ting; Zhou, Lin; Kong, Li-Hui; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1000 - 1006
• a: 15.868 ± 0.003 Å
• b: 7.6345 ± 0.0015 Å
• c: 13.226 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1602.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No