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Information card for entry 7011321
Preview
Coordinates | 7011321.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H64 Cl2 Cu2 N8 O13 |
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Calculated formula | C37 H64 Cl2 Cu2 N8 O13 |
SMILES | [Cu]1234OC(=O)O[Cu]567[NH]8Cc9cccc(C[NH]2CC[N]21CC[NH]3Cc1cccc(c1)C[NH]7CC[N]6(CC8)CC[NH]5Cc1cccc(C[NH]4CC2)c1)c9.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O |
Title of publication | Cascade chemistry in azacryptand cages: bridging carbonates and methylcarbonates |
Authors of publication | Yann Dussart; Charlie Harding; Pia Dalgaard; Christine McKenzie; Renuka Kadirvelraj; Vickie McKee; Jane Nelson |
Journal of publication | J. Chem. Soc., Dalton Trans. |
Year of publication | 2002 |
Journal issue | 8 |
Pages of publication | 1704 - 1713 |
a | 19.195 ± 0.003 Å |
b | 17.909 ± 0.003 Å |
c | 24.65 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8474 ± 2 Å3 |
Cell temperature | 158 ± 2 K |
Ambient diffraction temperature | 158 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0577 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0792 |
Weighted residual factors for all reflections included in the refinement | 0.0841 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7011321.html
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