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Information card for entry 4339722
Preview
Coordinates | 4339722.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H24 Cl2 Cu N5 O8.5 |
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Calculated formula | C13 H20 Cl2 Cu N5 O8.5 |
SMILES | Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[Cu]1234[n]5c6cccc5C[NH]1CC[N]2(CC[NH]3C6)CC[NH2]4.O |
Title of publication | Hydrogen and copper ion-induced molecular reorganizations in scorpionand-like ligands. A potentiometric, mechanistic, and solid-state study. |
Authors of publication | Verdejo, Begoña; Ferrer, Armando; Blasco, Salvador; Castillo, Carmen Esther; González, Jorge; Latorre, Julio; Máñez, M Angeles; Basallote, Manuel García; Soriano, Conxa; García-España, Enrique |
Journal of publication | Inorganic chemistry |
Year of publication | 2007 |
Journal volume | 46 |
Journal issue | 14 |
Pages of publication | 5707 - 5719 |
a | 12.447 ± 0.005 Å |
b | 19.152 ± 0.005 Å |
c | 20.39 ± 0.005 Å |
α | 90 ± 0.005° |
β | 124.42 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 4010 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.171 |
Residual factor for significantly intense reflections | 0.0724 |
Weighted residual factors for significantly intense reflections | 0.1764 |
Weighted residual factors for all reflections included in the refinement | 0.2417 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.239 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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