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Information card for entry 4114079
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Coordinates | 4114079.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compound (4) |
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Formula | C33.25 H40.5 B Cl0.5 Ir N6 O14 |
Calculated formula | C33.25 H40.5 B Cl0.5 Ir N6 O14 |
Title of publication | Formation of Unusual Iridabenzene and Metallanaphthalene Containing Electron-Withdrawing Substituents |
Authors of publication | Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Verónica Salazar; Enrique Oñate; Kurt Mereiter |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 9898 - 9899 |
a | 11.2272 ± 0.0014 Å |
b | 18.882 ± 0.002 Å |
c | 19.527 ± 0.003 Å |
α | 75.816 ± 0.002° |
β | 78.055 ± 0.002° |
γ | 75.87 ± 0.002° |
Cell volume | 3844 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.091 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.0661 |
Weighted residual factors for all reflections included in the refinement | 0.0731 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.782 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4114079.html
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