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Information card for entry 4313483
Preview
Coordinates | 4313483.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H36 B2 Cu F8 N14 |
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Calculated formula | C30 H36 B2 Cu F8 N14 |
SMILES | [Cu]12345[n]6nc7ccc6C=[N]1CCN1CC[N]3=Cc3[n]2nc(cc3)C=NCCN(CCN=C7)CCN=Cc2n[n]4c(cc2)C=[N]5CC1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
Title of publication | Redox-Adaptable Copper Hosts. Pyridazine-Linked Cryptands Accommodate Copper in a Range of Redox States |
Authors of publication | Sally Brooker; Janna D. Ewing; Tanya K. Ronson; Charles J. Harding; Jane Nelson; David J. Speed |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 2764 - 2773 |
a | 9.4 ± 0.004 Å |
b | 13.64 ± 0.005 Å |
c | 29.938 ± 0.012 Å |
α | 82.694 ± 0.005° |
β | 86.851 ± 0.006° |
γ | 75.134 ± 0.005° |
Cell volume | 3679 ± 3 Å3 |
Cell temperature | 168 ± 2 K |
Ambient diffraction temperature | 168 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1476 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.0865 |
Weighted residual factors for all reflections included in the refinement | 0.1008 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.817 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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