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Information card for entry 7132567
Preview
Coordinates | 7132567.cif |
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Original paper (by DOI) | HTML |
Formula | C108.92 H138.37 Br2.52 Cl0.48 Mg3 N10.46 O10 Zn3 |
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Calculated formula | C100.916 H126.374 Br2.516 Cl0.484 Mg3 N6.458 O10 Zn3 |
Title of publication | Mixed-magnesium/zinc calix[4]arene complexes: structure, and ring opening polymerisation studies. |
Authors of publication | Banks, Henry J. S.; Frese, Josef W. A.; Elsegood, Mark R. J.; Redshaw, Carl |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 3 |
Pages of publication | 304 - 307 |
a | 28.44051 ± 0.00012 Å |
b | 33.62784 ± 0.00006 Å |
c | 12.56775 ± 0.00013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 12019.7 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0737 |
Residual factor for significantly intense reflections | 0.0718 |
Weighted residual factors for significantly intense reflections | 0.2038 |
Weighted residual factors for all reflections included in the refinement | 0.2053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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