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Information card for entry 1509140
Preview
Coordinates | 1509140.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H36 Cl2 Cu N12 O8 |
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Calculated formula | C20 H36 Cl2 Cu N12 O8 |
SMILES | [Cu]12([NH2]CCC[NH2]1)[NH2]CCC[NH2]2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].n1n2c(cc(nc2nc1)C)C.n1n2c(cc(nc2nc1)C)C |
Title of publication | New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine |
Authors of publication | Caballero, Ana B.; Rodríquez-Diéguez, Antonio; Quirós, Miguel; Lezama, Luis; Salas, Juan M. |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2011 |
Journal volume | 378 |
Pages of publication | 194 - 201 |
a | 8.0816 ± 0.0005 Å |
b | 8.2729 ± 0.0005 Å |
c | 12.4711 ± 0.0008 Å |
α | 94.457 ± 0.001° |
β | 99.007 ± 0.001° |
γ | 111.19 ± 0.001° |
Cell volume | 759.63 ± 0.08 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.04 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.1154 |
Weighted residual factors for all reflections included in the refinement | 0.1173 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
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/1509140.html
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