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Information card for entry 7700807
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Coordinates | 7700807.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H144 Cr8 F8 O33.58 S0.79 |
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Calculated formula | C80 H144 Cr8 F8 O33.574 S0.787 |
Title of publication | Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown. |
Authors of publication | Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 35 |
Pages of publication | 13184 - 13189 |
a | 34.8686 ± 0.0015 Å |
b | 16.6607 ± 0.0006 Å |
c | 45.057 ± 0.0019 Å |
α | 90° |
β | 111.276 ± 0.005° |
γ | 90° |
Cell volume | 24391.2 ± 1.9 Å3 |
Cell temperature | 310 ± 0.1 K |
Ambient diffraction temperature | 310 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.1143 |
Residual factor for significantly intense reflections | 0.061 |
Weighted residual factors for significantly intense reflections | 0.1618 |
Weighted residual factors for all reflections included in the refinement | 0.1877 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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