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Information card for entry 7011322
Preview
Coordinates | 7011322.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41.6 H68.4 Cl3 Cu2 N8.6 O17.4 |
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Calculated formula | C41.6 H64.8 Cl3 Cu2 N8.6 O17.394 |
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 | 12.4559 ± 0.0005 Å |
b | 30.8743 ± 0.0013 Å |
c | 13.8395 ± 0.0006 Å |
α | 90° |
β | 105.039 ± 0.001° |
γ | 90° |
Cell volume | 5139.9 ± 0.4 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.088 |
Residual factor for significantly intense reflections | 0.066 |
Weighted residual factors for significantly intense reflections | 0.1392 |
Weighted residual factors for all reflections included in the refinement | 0.1448 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
Diffraction radiation wavelength | 0.4848 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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