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Information card for entry 2312531
Preview
Coordinates | 2312531.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 4,7,13,16,21,24-Hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane triiodide iodide hemipenta(diiodine) dichloromethane monosolvate |
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Formula | C19 H40 Cl2 I9 N2 O6 |
Calculated formula | C19 H40 Cl2 I9 N2 O6 |
Title of publication | Formation of extended polyiodides at large cation templates. |
Authors of publication | Blake, Alexander J.; Castellano, Carlo; Lippolis, Vito; Podda, Enrico; Schröder, Martin |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | Pt 7 |
Pages of publication | 311 - 318 |
a | 13.831 ± 0.002 Å |
b | 14.82 ± 0.002 Å |
c | 20.266 ± 0.003 Å |
α | 90° |
β | 96.7 ± 0.01° |
γ | 90° |
Cell volume | 4125.7 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0621 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.0757 |
Weighted residual factors for all reflections included in the refinement | 0.0878 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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