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Information card for entry 7708050
Preview
Coordinates | 7708050.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H41 Br2 Cl2 Cu2 N2 O17.5 |
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Calculated formula | C28 H41 Br2 Cl2 Cu2 N2 O17.5 |
Title of publication | Azide-mediated unusual in situ transformation of Mannich base to Schiff-Mannich base and isolation of their Cu(II) complexes: crystal structure, theoretical inspection and anticancer activities |
Authors of publication | Das, Debasis; Mukherjee, Somali; Hansda, Sili; Nandi, Sudeshna; Acharya, Krishnendu; Chakraborty, Tonmoy; Samanta, Debabrata |
Journal of publication | Dalton Transactions |
Year of publication | 2021 |
a | 11.1007 ± 0.001 Å |
b | 18.4273 ± 0.0016 Å |
c | 18.8427 ± 0.0017 Å |
α | 90° |
β | 90.913 ± 0.003° |
γ | 90° |
Cell volume | 3853.9 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.128 |
Residual factor for significantly intense reflections | 0.0598 |
Weighted residual factors for significantly intense reflections | 0.1266 |
Weighted residual factors for all reflections included in the refinement | 0.1546 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7708050.html
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