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Information card for entry 4339286
Preview
| Coordinates | 4339286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C146 H151 B2 Ir2 Mo2 N9 O6 P4 |
|---|---|
| Calculated formula | C146 H151 B2 Ir2 Mo2 N9 O6 P4 |
| SMILES | [Ir]12([Mo]3456[Mo]78([Ir]([P](c9[n]7c(O3)ccc9)(c3ccccc3)c3ccccc3)([P](c3[n]8c(O4)ccc3)(c3ccccc3)c3ccccc3)(C#[N]C(C)(C)C)C#[N]C(C)(C)C)(Oc3[n]5c([P]1(c1ccccc1)c1ccccc1)ccc3)Oc1[n]6c([P]2(c2ccccc2)c2ccccc2)ccc1)(C#[N]C(C)(C)C)C#[N]C(C)(C)C.O(CC)CC.N#CC.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC |
| Title of publication | Linear metal-metal-bonded tetranuclear M-Mo-Mo-M complexes (M = Ir and Rh): oxidative metal-metal bond formation in a tetrametallic system and 1,4-addition reaction of alkyl halides. |
| Authors of publication | Ohashi, Masato; Shima, Asuka; Rüffer, Tobias; Mizomoto, Hitoshi; Kaneda, Yutaka; Mashima, Kazushi |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 16 |
| Pages of publication | 6702 - 6714 |
| a | 16.10926 ± 0.00018 Å |
| b | 26.5949 ± 0.0003 Å |
| c | 16.00206 ± 0.00019 Å |
| α | 100.595 ± 0.0003° |
| β | 101.246 ± 0.0005° |
| γ | 77.3289 ± 0.0005° |
| Cell volume | 6488.58 ± 0.13 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0439 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0685 |
| Weighted residual factors for all reflections included in the refinement | 0.072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179495 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/92. |
4339286.cif |
| 117252 | 2014-06-14 | cif/ Adding structures of 4339285, 4339286, 4339287, 4339288, 4339289 via cif-deposit CGI script. |
4339286.cif |
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Users of the data should acknowledge the original authors of the
structural data.