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Information card for entry 1573878
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Coordinates | 1573878.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H18 Br4 N2 O2 |
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Calculated formula | C20 H18 Br4 N2 O2 |
Title of publication | Robust PET-Based Chiral Schiff Base Molecular Probe for Recognition of Hg2+ and Pb2+ and Its Live Cell Imaging |
Authors of publication | S, Benita Jeba Silviya; S, Michlin Ruphina Maragatham; Andrews, Jebastin S. G.; Bhuvanesh, Nattamai S. P.; J, Winfred Jebaraj; Chithiraivel, Balakrishnan |
Journal of publication | Analytical Methods |
Year of publication | 2025 |
a | 15.9413 ± 0.0008 Å |
b | 9.245 ± 0.0005 Å |
c | 16.0151 ± 0.0008 Å |
α | 90° |
β | 110.54 ± 0.002° |
γ | 90° |
Cell volume | 2210.2 ± 0.2 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 5 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0246 |
Residual factor for significantly intense reflections | 0.0187 |
Weighted residual factors for significantly intense reflections | 0.0415 |
Weighted residual factors for all reflections included in the refinement | 0.043 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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297681 (current) | 2025-02-12 | cif/ Adding structures of 1573878 via cif-deposit CGI script. |
1573878.cif |
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Users of the data should acknowledge the original authors of the
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