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Information card for entry 7714213
Preview
Coordinates | 7714213.cif |
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Original paper (by DOI) | HTML |
Formula | C8 H24 Cl3 Co N4 O2 |
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Calculated formula | C8 H24 Cl3 Co N4 O2 |
SMILES | [Co]12(Cl)(Cl)([NH](CC[NH2]1)CCO)[NH2]CC[NH]2CCO.[Cl-] |
Title of publication | Synthesis of Nitrogen Mustards on Cobalt(III) |
Authors of publication | Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M. |
Journal of publication | Dalton Transactions |
Year of publication | 2023 |
a | 11.521 ± 0.0007 Å |
b | 10.6094 ± 0.0006 Å |
c | 12.7807 ± 0.0008 Å |
α | 90° |
β | 98.647 ± 0.006° |
γ | 90° |
Cell volume | 1544.44 ± 0.16 Å3 |
Cell temperature | 120.01 ± 0.1 K |
Ambient diffraction temperature | 120.01 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.06 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.0975 |
Weighted residual factors for all reflections included in the refinement | 0.1081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
286946 (current) | 2023-10-13 | cif/ Adding structures of 7714205, 7714206, 7714207, 7714208, 7714209, 7714210, 7714211, 7714212, 7714213, 7714214 via cif-deposit CGI script. |
7714213.cif |
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Users of the data should acknowledge the original authors of the
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