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Information card for entry 7053076
Preview
Coordinates | 7053076.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H18 Co N2 O6 |
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Calculated formula | C30 H18 Co N2 O6 |
SMILES | C12C(=CC(=O)c3ccccc13)O[Co]13([n]4c(cccc4)c4[n]1cccc4)([O]=2)[O]=C1C(=CC(=O)c2ccccc12)O3 |
Title of publication | Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand |
Authors of publication | Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2013 |
Journal volume | 37 |
Journal issue | 8 |
Pages of publication | 2303 |
a | 19.554 ± 0.004 Å |
b | 14.761 ± 0.003 Å |
c | 8.3825 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2419.5 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 41 |
Hermann-Mauguin space group symbol | A b a 2 |
Hall space group symbol | A 2 -2ab |
Residual factor for all reflections | 0.1456 |
Residual factor for significantly intense reflections | 0.0618 |
Weighted residual factors for significantly intense reflections | 0.0944 |
Weighted residual factors for all reflections included in the refinement | 0.1084 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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