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Information card for entry 2005998
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Coordinates | 2005998.cif |
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Original IUCr paper | HTML |
Chemical name | Diaqua-bis(pyridine-2-carboxamide-N',O)copper(II) Dichloride |
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Formula | C12 H16 Cl2 Cu N4 O4 |
Calculated formula | C12 H16 Cl2 Cu N4 O4 |
SMILES | C1(c2cccc[n]2[Cu]2([OH2])([OH2])([O]=1)[n]1c(C(N)=[O]2)cccc1)N.[Cl-].[Cl-] |
Title of publication | <i>trans</i>-Diaquabis(pyridine-2-carboxamide-<i>N</i>^1^,<i>O</i>)copper(II) Dichloride and Dibromide |
Authors of publication | Sieroń, L.; Bukowska-Strżyzewska, M. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 3 |
Pages of publication | 296 - 298 |
a | 6.2976 ± 0.0007 Å |
b | 10.0596 ± 0.0014 Å |
c | 12.8122 ± 0.0011 Å |
α | 90° |
β | 93.316 ± 0.008° |
γ | 90° |
Cell volume | 810.31 ± 0.16 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0255 |
Residual factor for significantly intense reflections | 0.0234 |
Weighted residual factors for all reflections | 0.0666 |
Weighted residual factors for significantly intense reflections | 0.0655 |
Goodness-of-fit parameter for all reflections | 1.102 |
Goodness-of-fit parameter for significantly intense reflections | 1.129 |
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/2005998.html
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