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Information card for entry 7013929
Preview
Coordinates | 7013929.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H30 Cu2 N10 O8 |
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Calculated formula | C34 H30 Cu2 N10 O8 |
SMILES | c12cccc[n]1[Cu]13(N(c4cccc[n]4[Cu]45(N2C(=O)c2cccc(C(=O)N5c5ccccn5)[n]42)[OH2])C(=O)c2cccc(C(=O)N3c3ccccn3)[n]12)[OH2].O.O |
Title of publication | New pyridine carboxamide ligands and their complexation to copper(II). X-Ray crystal structures of mono-, di, tri- and tetranuclear copper complexes. |
Authors of publication | Jain, Sneh L.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Crayston, Joe A.; Woollins, J. Derek |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2004 |
Journal issue | 6 |
Pages of publication | 862 - 871 |
a | 18.377 ± 0.004 Å |
b | 8.9474 ± 0.0015 Å |
c | 19.422 ± 0.003 Å |
α | 90° |
β | 93.094 ± 0.005° |
γ | 90° |
Cell volume | 3188.8 ± 1 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0611 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.1248 |
Weighted residual factors for all reflections included in the refinement | 0.1325 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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