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Information card for entry 7055446
Preview
Coordinates | 7055446.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H31 Cu N7 O8 |
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Calculated formula | C15 H31 Cu N7 O8 |
SMILES | [Cu]123([OH2])([OH2])[N]45C(=C[N]1(CC[N]2(C)CCC5)CCC[N]3(C)CC4)C#N.N(=O)(=O)[O-].N(=O)(=O)[O-] |
Title of publication | Reinforced cyclam derivatives functionalized on the bridging unit |
Authors of publication | Sok, Nicolas; Baglin, Isabelle; Rousselin, Yoann; Boschetti, Frederic; Bernhard, Claire; Goze, Christine; Denat, Franck |
Journal of publication | New J. Chem. |
Year of publication | 2016 |
Journal volume | 40 |
Journal issue | 7 |
Pages of publication | 5829 |
a | 16.103 ± 0.005 Å |
b | 14.421 ± 0.005 Å |
c | 18.511 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4299 ± 2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 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 | 0.1309 |
Residual factor for significantly intense reflections | 0.1076 |
Weighted residual factors for significantly intense reflections | 0.2621 |
Weighted residual factors for all reflections included in the refinement | 0.2768 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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