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Information card for entry 2008667
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Coordinates | 2008667.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | (5,6-Dimethyl-1,10-phenanthroline-N,N')(nitrato-O)(salicylaldehydato-O,O) copper(II) |
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Formula | C21 H17 Cu N3 O5 |
Calculated formula | C21 H17 Cu N3 O5 |
SMILES | [Cu]12(Oc3ccccc3C=[O]1)([n]1cccc3c(c(c4ccc[n]2c4c13)C)C)ON(=O)=O |
Title of publication | (5,6-Dimethyl-1,10-phenanthroline)(nitrato)(salicylaldehydato)copper(II) |
Authors of publication | Gasque, Laura; Moreno-Esparza, Rafael; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1999 |
Journal volume | 55 |
Journal issue | 7 |
Pages of publication | 1063 - 1065 |
a | 9.573 ± 0.001 Å |
b | 10.19 ± 0.001 Å |
c | 19.213 ± 0.002 Å |
α | 90° |
β | 90.32 ± 0.01° |
γ | 90° |
Cell volume | 1874.2 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.083 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.103 |
Weighted residual factors for all reflections included in the refinement | 0.118 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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