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Information card for entry 4326881
Preview
Coordinates | 4326881.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H27 Cu N5 O8 |
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Calculated formula | C23 H25 Cu N5 O7 |
SMILES | [Cu]1234Oc5ccc(cc5C[NH]1CC(C)(c1cccc[n]21)C[NH]3Cc1cc(ccc1O4)N(=O)=O)N(=O)=O.O |
Title of publication | Tetradentate vs Pentadentate Coordination in Copper(II) Complexes of Pyridylbis(aminophenol) Ligands Depends on Nucleophilicity of Phenol Donors |
Authors of publication | Rajendra Shakya; Zhaodong Wang; Douglas R. Powell; Robert P. Houser |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 11581 - 11591 |
a | 21.15 ± 0.005 Å |
b | 10.823 ± 0.003 Å |
c | 22.675 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5190 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1085 |
Residual factor for significantly intense reflections | 0.0747 |
Weighted residual factors for significantly intense reflections | 0.1774 |
Weighted residual factors for all reflections included in the refinement | 0.1935 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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