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Information card for entry 4325276
Preview
Coordinates | 4325276.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H66 Cl Cu2 N12 O13 |
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Calculated formula | C40 H66 Cl Cu2 N12 O13 |
SMILES | c12[n]3c(c(n1C)C)C(=O)N1[C@H](c4[n]5c(c(n4C)C)C(=O)N[C@H](C(C)C)c4[n]6c(c(n4C)C)C(=O)N4[C@H](c7[n](c(c(n7C)C)C(=O)N[C@@H]2C(C)C)[Cu]64(O[Cu]315[OH2])[OH2])C(C)C)C(C)C.[O-]Cl(=O)(=O)=O.O.O.c12[n]3c(c(n1C)C)C(=O)N1[C@@H](c4[n]5c(c(n4C)C)C(=O)N[C@@H](C(C)C)c4[n]6c(c(n4C)C)C(=O)N4[C@@H](c7[n](c(c(n7C)C)C(=O)N[C@H]2C(C)C)[Cu]64(O[Cu]315[OH2])[OH2])C(C)C)C(C)C.[O-]Cl(=O)(=O)=O.O.O |
Title of publication | Synthesis and CuII Coordination Chemistry of a Patellamide Derivative: Consequences of the Change from the Natural Thiazole/Oxazoline to the Artificial Imidazole Heterocycles |
Authors of publication | Peter Comba; Nina Dovalil; Graeme R. Hanson; Gerald Linti |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 5165 - 5174 |
a | 11.876 ± 0.002 Å |
b | 11.599 ± 0.002 Å |
c | 18.24 ± 0.004 Å |
α | 90° |
β | 102.09 ± 0.03° |
γ | 90° |
Cell volume | 2456.8 ± 0.8 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.1206 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1015 |
Weighted residual factors for all reflections included in the refinement | 0.1262 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.847 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4325276.html
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