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Information card for entry 4063429
Preview
Coordinates | 4063429.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C61 H73 B Ir N3 P Ru |
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Calculated formula | C61 H71 B Ir N3 P Ru |
SMILES | [Ir]123456([H][Ru]678([P](c6ccccc6)(c6ccccc6)c6ccccc6)[N]6(C5)CC[N]7(C)CC[N]8(C)CC6)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis and Structure of a Novel Ruthenium Hydrido Bis(dihydrogen) Complex with 1,4,7-Trimethyl-1,4,7-triazacyclononane Ligand: A Useful Precursor for Synthesis of Heterometallic Complexes |
Authors of publication | Shima, Takanori; Namura, Kyo; Kameo, Hajime; Kakuta, Satoshi; Suzuki, Hiroharu |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 2 |
Pages of publication | 337 |
a | 14.1656 ± 0.001 Å |
b | 14.5411 ± 0.0008 Å |
c | 15.094 ± 0.0008 Å |
α | 114.322 ± 0.004° |
β | 92.068 ± 0.002° |
γ | 99.075 ± 0.001° |
Cell volume | 2780 ± 0.3 Å3 |
Cell temperature | 243 ± 2 K |
Ambient diffraction temperature | 243 ± 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 | 0.0491 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.1306 |
Weighted residual factors for all reflections included in the refinement | 0.1325 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/4063429.html
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Users of the data should acknowledge the original authors of the
structural data.