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Information card for entry 7713366
Preview
Coordinates | 7713366.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C343 H510.5 Cu16 N25.5 O68 |
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Calculated formula | C301 H404 Cu16 N11.5 O52 |
Title of publication | A bis-calix[4]arene-supported [CuII16] cage. |
Authors of publication | Wilson, Lucinda R. B.; Coletta, Marco; Singh, Mukesh K.; Teat, Simon J.; Brookfield, Adam; Shanmugam, Muralidharan; McInnes, Eric J. L.; Piligkos, Stergios; Dalgarno, Scott J.; Brechin, Euan K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2023 |
Journal volume | 52 |
Journal issue | 26 |
Pages of publication | 8956 - 8963 |
a | 21.4369 ± 0.0009 Å |
b | 21.9078 ± 0.0009 Å |
c | 22.066 ± 0.0009 Å |
α | 105.596 ± 0.003° |
β | 111.468 ± 0.002° |
γ | 95.527 ± 0.003° |
Cell volume | 9067.1 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0857 |
Residual factor for significantly intense reflections | 0.0566 |
Weighted residual factors for significantly intense reflections | 0.1416 |
Weighted residual factors for all reflections included in the refinement | 0.1551 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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