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Information card for entry 7005043
Preview
Coordinates | 7005043.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H36 Cl3 Cu2 N4 O2 |
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Calculated formula | C18 H36 Cl3 Cu2 N4 O2 |
SMILES | [Cu]1234[O]=C(OC(C)(C)C)C[N]52CCC[N]21CC[N]4(CCC[NH]3CC5)CC2.[Cu](Cl)([Cl-])[Cl-] |
Title of publication | Copper(II) cyclam-based complexes for radiopharmaceutical applications: synthesis and structural analysis. |
Authors of publication | Silversides, Jon D.; Allan, Cheryll C.; Archibald, Stephen J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 9 |
Pages of publication | 971 - 978 |
a | 8.3937 ± 0.0016 Å |
b | 27.97 ± 0.006 Å |
c | 10.273 ± 0.002 Å |
α | 90° |
β | 102.069 ± 0.015° |
γ | 90° |
Cell volume | 2358.5 ± 0.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.1278 |
Residual factor for significantly intense reflections | 0.0681 |
Weighted residual factors for significantly intense reflections | 0.1662 |
Weighted residual factors for all reflections included in the refinement | 0.1982 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7005043.html
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