Information card for entry 7714400

Structure parameters

• Chemical name: symmetric tellurium tetraflouroborate
• Formula: C21 H21 Cl O7 Te
• Calculated formula: C21 H21 Cl O7 Te
• SMILES: [Te+](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Electrocatalytic Hydrogen Evolution Mediated by an Organotelluroxane Macrocycle Stabilized through Secondary Interactions
• Authors of publication: Narsimhulu, Gujju; Samuel, Calvin; Sathish, Palani; Dasari, Sai Hemanth Kumar; Krishnamoorthy, Kothandam; Viswanathan, Baskar
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.3196 ± 0.0004 Å
• b: 10.7682 ± 0.0005 Å
• c: 11.1672 ± 0.0005 Å
• α: 111.398 ± 0.001°
• β: 96.827 ± 0.001°
• γ: 104.125 ± 0.001°
• Cell volume: 1090.36 ± 0.08 ų
• Cell temperature: 285 K
• Ambient diffraction temperature: 284.87 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No