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Information card for entry 4078804
Preview
Coordinates | 4078804.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H49 Ir N Si Ta |
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Calculated formula | C30 H49 Ir N Si Ta |
SMILES | [IrH3]1234([Ta]5678(=Nc9ccccc9)([c]9([c]5([c]6([c]7([c]89C)C)C)C)C)C[Si](C)(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C |
Title of publication | Early‒Late Heterobimetallic Complexes with a Ta‒Ir Multiple Bond: Bimetallic Oxidative Additions of C‒H, N‒H, and O‒H Bonds |
Authors of publication | Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 13 |
Pages of publication | 4658 |
a | 15.0774 ± 0.0004 Å |
b | 21.5886 ± 0.0005 Å |
c | 20.021 ± 0.0006 Å |
α | 90° |
β | 107.648 ± 0.0009° |
γ | 90° |
Cell volume | 6210.1 ± 0.3 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.0379 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for significantly intense reflections | 0.0564 |
Weighted residual factors for all reflections included in the refinement | 0.0596 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71069 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/4078804.html
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