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Information card for entry 7004959
Preview
| Coordinates | 7004959.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H64 B N4 O6 P2 Re |
|---|---|
| Calculated formula | C60 H64 B N4 O6 P2 Re |
| SMILES | [Re]1([N](=NN=[N]1Cc1ccccc1)Cc1ccccc1)([P](OCC)(OCC)c1ccccc1)([P](OCC)(OCC)c1ccccc1)(C#[O])C#[O].c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Reactions of manganese and rhenium complexes with organic azides: preparation of tetraazabutadiene derivatives. |
| Authors of publication | Albertin, Gabriele; Antoniutti, Stefano; Bacchi, Alessia; Celebrin, Alessandro; Pelizzi, Giancarlo; Zanardo, Gianluigi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 6 |
| Pages of publication | 661 - 668 |
| a | 10.8658 ± 0.0007 Å |
| b | 16.388 ± 0.001 Å |
| c | 17.404 ± 0.001 Å |
| α | 79.556 ± 0.001° |
| β | 78.603 ± 0.001° |
| γ | 82.235 ± 0.001° |
| Cell volume | 2971.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0378 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179753 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/49. |
7004959.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004959.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004959.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7004959.cif |
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Users of the data should acknowledge the original authors of the
structural data.