Information card for entry 7710528

Structure parameters

• Formula: C26 H23.77 B2 Br1.23 F4 N5 Te2
• Calculated formula: C26 H23.768 B2 Br1.232 F4 N5 Te2
• Title of publication: A BOPHY based fluorescent probe for Hg2+via NTe2 chelation
• Authors of publication: Malankar, Gauri S.; Shelar, Divyesh S.; M., Manikandan; Patra, Malay; Butcher, Ray J.; Manjare, Sudesh T.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.0491 ± 0.0009 Å
• b: 12.3467 ± 0.0009 Å
• c: 12.4561 ± 0.0009 Å
• α: 61.172 ± 0.003°
• β: 62.951 ± 0.002°
• γ: 81.418 ± 0.003°
• Cell volume: 1440 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No