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Information card for entry 8102422
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Coordinates | 8102422.cif |
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Formula | C28 H24 Cu I3 N5 O5 |
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Calculated formula | C28 H24 Cu I3 N5 O5 |
SMILES | c1(c(c(c(c(c1C(=O)[O-])I)C(=O)O[Cu]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)I)N)I.O |
Title of publication | Crystal structure of tetrapyridyl(5-amino-2,4,6-triiodoisophthalato-kO)copper(II) monohydrate, Cu(C5H5N)4(C8H2I3NO4) · H2O |
Authors of publication | Yu Zhang; Jian-Ying Zhao; Guo-Dong Tang |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2009 |
Journal volume | 224 |
Journal issue | 2 |
Pages of publication | 221 |
a | 8.7712 ± 0.0008 Å |
b | 19.4724 ± 0.0018 Å |
c | 18.0142 ± 0.0017 Å |
α | 90° |
β | 91.054 ± 0.001° |
γ | 90° |
Cell volume | 3076.2 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0664 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.1252 |
Weighted residual factors for all reflections included in the refinement | 0.1344 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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