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Information card for entry 7706514
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Coordinates | 7706514.cif |
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Original paper (by DOI) | HTML |
Common name | poly-[tris(1,10-phenanthrolin-1-ium 1,10-phenanthroline) heptaiodide] |
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Chemical name | poly-[tris(1,10-phenanthrolin-1-ium 1,10-phenanthroline) heptaiodide] |
Formula | C72 H51 I7 N12 |
Calculated formula | C72 H51 I7 N12 |
Title of publication | Molecular self-assembly of 1D infinite polyiodide helices in a phenanthrolinium salt. |
Authors of publication | Poręba, Tomasz; Swiątkowski, Marcin; Kruszyński, Rafał |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 8 |
Pages of publication | 2800 - 2806 |
a | 24.0054 ± 0.0003 Å |
b | 12.4116 ± 0.0002 Å |
c | 22.5277 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6712 ± 0.2 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0619 |
Residual factor for significantly intense reflections | 0.0574 |
Weighted residual factors for significantly intense reflections | 0.1366 |
Weighted residual factors for all reflections included in the refinement | 0.1391 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.