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Information card for entry 7037724
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Coordinates | 7037724.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [nPr2NH2][Cr7NiF8(O2C5H9)(O2CC2H2C5H4N)] |
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Formula | C89 H157 Cr7 F8 N2 Ni O32 |
Calculated formula | C89 H157 Cr7 F8 N2 Ni O32 |
Title of publication | Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings. |
Authors of publication | Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 4 |
Pages of publication | 1638 - 1647 |
a | 25.2879 ± 0.0014 Å |
b | 16.7259 ± 0.0009 Å |
c | 30.8206 ± 0.0015 Å |
α | 90° |
β | 109.154 ± 0.006° |
γ | 90° |
Cell volume | 12314.3 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.1418 |
Residual factor for significantly intense reflections | 0.0812 |
Weighted residual factors for significantly intense reflections | 0.195 |
Weighted residual factors for all reflections included in the refinement | 0.2323 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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