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Information card for entry 1563795
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1563795.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H25 Cu N3 O8 |
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Calculated formula | C16 H25 Cu N3 O8 |
SMILES | [Cu]123([n]4c(c5[n]1ccc(c5)C)cc(cc4)C)OC(=O)C[NH]3CC(=O)O2.O.O.O.O |
Title of publication | Development of copper(II)-diimine-iminodiacetate mixed ligand complexes as potential antitumor agents |
Authors of publication | Alvarez, Natalia; Mendes, Luis F.S.; Kramer, M. Gabriela; Torre, María H.; Costa-Filho, Antonio J.; Ellena, Javier; Facchin, Gianella |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2018 |
Journal volume | 483 |
Pages of publication | 61 - 70 |
a | 8.0498 ± 0.0011 Å |
b | 10.8189 ± 0.0017 Å |
c | 12.5674 ± 0.0014 Å |
α | 67.215 ± 0.007° |
β | 88.141 ± 0.005° |
γ | 84.128 ± 0.008° |
Cell volume | 1003.8 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0513 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0953 |
Weighted residual factors for all reflections included in the refinement | 0.0996 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1563795.html
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Users of the data should acknowledge the original authors of the
structural data.