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Information card for entry 7015646
Preview
| Coordinates | 7015646.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ((mu!3$-imido)(mu!3$-oxo)tris(eta$5!- pentamethylcyclopentadienyliridium(iii))) triflate |
|---|---|
| Chemical name | [(μ~3~-imido)(μ~3~-oxo)tris(η^5^-pentamethylcyclopentadienyliridium(iii))] triflate |
| Formula | C36 H54 F6 Ir3 N O7 S2 |
| Calculated formula | C36 H54 F6 Ir3 N O7 S2 |
| Title of publication | Synthesis and X-ray crystal structure of a novel organometallic (μ3-oxido)(μ3-imido) trinuclear iridium complex. |
| Authors of publication | Schau-Magnussen, Magnus; Malcho, Phillip; Herbst, Konrad; Brorson, Michael; Bendix, Jesper |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 16 |
| Pages of publication | 4212 - 4216 |
| a | 21.513 ± 0.0008 Å |
| b | 13.535 ± 0.003 Å |
| c | 14.3094 ± 0.0014 Å |
| α | 90° |
| β | 93.085 ± 0.009° |
| γ | 90° |
| Cell volume | 4160.6 ± 1 Å3 |
| Cell temperature | 122 ± 1 K |
| Ambient diffraction temperature | 122 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0368 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.076 |
| Weighted residual factors for all reflections included in the refinement | 0.0826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179860 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/56. |
7015646.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015646.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015646.cif |
| 21212 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015645, 7015646 via cif-deposit CGI script. |
7015646.cif |
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