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Information card for entry 7104385
Preview
Coordinates | 7104385.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H28 B Ir N6 O |
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Calculated formula | C30 H28 B Ir N6 O |
SMILES | [Ir]12([n]3c4n([B]2(n2ccc5c2nccc5)n2ccc5c2[n]1ccc5)ccc4ccc3)(C#[O])C1CCCC=CCC1 |
Title of publication | A new family of metallaboratrane complexes based on 7-azaindole: B-H activation mediated by carbon monoxide. |
Authors of publication | Tsoureas, Nikolaos; Haddow, Mairi F; Hamilton, Alex; Owen, Gareth R |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2009 |
Journal volume | 34 |
Journal issue | 18 |
Pages of publication | 2538 - 2540 |
a | 9.2778 ± 0.0004 Å |
b | 17.5888 ± 0.0007 Å |
c | 15.9156 ± 0.0006 Å |
α | 90° |
β | 93.999 ± 0.002° |
γ | 90° |
Cell volume | 2590.87 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0601 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.0814 |
Weighted residual factors for all reflections included in the refinement | 0.0897 |
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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The link is: https://www.crystallography.net/7104385.html
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