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Information card for entry 7714214
Preview
Coordinates | 7714214.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H34 Cl5 Co N4 O2 |
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Calculated formula | C12 H34 Cl5 Co N4 O2 |
SMILES | [Co]12(Cl)(Cl)([NH2]CC[NH]1CCCl)[NH](CCCl)CC[NH2]2.[Cl-].[Cl-].OCC.OCC |
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 | 19.2961 ± 0.0003 Å |
b | 8.0694 ± 0.0001 Å |
c | 27.6193 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4300.54 ± 0.12 Å3 |
Cell temperature | 120.01 ± 0.1 K |
Ambient diffraction temperature | 120.01 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0414 |
Residual factor for significantly intense reflections | 0.0327 |
Weighted residual factors for significantly intense reflections | 0.0728 |
Weighted residual factors for all reflections included in the refinement | 0.0793 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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. |
7714214.cif |
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Users of the data should acknowledge the original authors of the
structural data.