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Information card for entry 7004211
Preview
Coordinates | 7004211.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H78 Cu N4 O8 |
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Calculated formula | C50 H78 Cu N4 O8 |
SMILES | C1(=O)C(=O)O[Cu]23N(C(=O)C(=O)O3)c3c(cc4C(=O)c5ccccc5C(=O)c4c3)N12.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC |
Title of publication | Transition metal induced derivatisations resulting in novel coordination behaviour of bis(oxamato) ligands |
Authors of publication | Rüffer, Tobias; Bräuer, Björn; Meva, François Eya'ane; Walfort, Bernhard |
Journal of publication | Dalton Transactions |
Year of publication | 2008 |
Journal issue | 37 |
Pages of publication | 5089 - 5098 |
a | 20.0668 ± 0.0009 Å |
b | 17.5601 ± 0.0008 Å |
c | 14.2159 ± 0.0007 Å |
α | 90° |
β | 94.373 ± 0.001° |
γ | 90° |
Cell volume | 4994.7 ± 0.4 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 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 | 0.0434 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0835 |
Weighted residual factors for all reflections included in the refinement | 0.0885 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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