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Information card for entry 4087984
Preview
Coordinates | 4087984.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H20 B Ir N6 O4 |
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Calculated formula | C17 H20 B Ir N6 O4 |
SMILES | [Ir]12345([n]6n(ccc6)[BH](n6[n]1ccc6)n1[n]2ccc1)[CH](C(=O)OC)=[C]3([CH]4=[CH2]5)C(=O)OC |
Title of publication | Reactivity of a Tp‒Iridacyclopentene Complex |
Authors of publication | Vivancos, Ángela; Rendón, Nuria; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 22 |
Pages of publication | 5438 |
a | 9.6996 ± 0.0004 Å |
b | 16.5126 ± 0.0007 Å |
c | 13.4111 ± 0.0006 Å |
α | 90° |
β | 108.957 ± 0.001° |
γ | 90° |
Cell volume | 2031.5 ± 0.15 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0215 |
Residual factor for significantly intense reflections | 0.0147 |
Weighted residual factors for significantly intense reflections | 0.0348 |
Weighted residual factors for all reflections included in the refinement | 0.0377 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/4087984.html
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