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Information card for entry 4320078
Preview
Coordinates | 4320078.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H19 Cl Cu N3 O7 |
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Calculated formula | C19 H18 Cl Cu N3 O7 |
SMILES | [Cu]12([n]3c(c4[n]1cccc4)cccc3)(OC(=O)[C@@H]([NH2]2)Cc1ccccc1)[OH2].Cl(=O)(=O)(=O)[O-] |
Title of publication | Conformational Isomerism and Weak Molecular and Magnetic Interactions in Ternary Copper(II) Complexes of [Cu(AA)L']ClO4.nH2O, Where AA = l-Phenylalanine and l-Histidine, L' = 1,10-Phenanthroline and 2,2-Bipyridine, and n = 1 or 1.5: Synthesis, Single-Crystal X-ray Structures, and Magnetic Resonance Investigations |
Authors of publication | P. S. Subramanian; E. Suresh; P. Dastidar; S. Waghmode; D. Srinivas |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 4291 - 4301 |
a | 7.422 ± 0.007 Å |
b | 11.397 ± 0.005 Å |
c | 12.61 ± 0.002 Å |
α | 90° |
β | 102.1 ± 0.05° |
γ | 90° |
Cell volume | 1043 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0644 |
Residual factor for significantly intense reflections | 0.0574 |
Weighted residual factors for significantly intense reflections | 0.1657 |
Weighted residual factors for all reflections included in the refinement | 0.174 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoK/a |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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