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Information card for entry 7008130
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| Coordinates | 7008130.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Dicarbonylnitrosylbromopicolinate-rhenium(i) |
|---|---|
| Chemical name | Dicarbonylnitrosylbromopicolinate-rhenium(I) |
| Formula | C8 H4 Br N2 O5 Re |
| Calculated formula | C8 H4 Br N2 O5 Re |
| SMILES | [Re]1(Br)(C#[O])(N=O)(C#[O])[n]2c(C(=O)O1)cccc2 |
| Title of publication | The chemistry of the fac-[Re(CO)2(NO)]2+ fragment in aqueous solution. |
| Authors of publication | Kurz, Philipp; Rattat, Dirk; Angst, Daniela; Schmalle, Helmut; Spingler, Bernhard; Alberto, Roger; Berke, Heinz; Beck, Wolfgang |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2005 |
| Journal issue | 4 |
| Pages of publication | 804 - 810 |
| a | 8.487 ± 0.001 Å |
| b | 13.2496 ± 0.0013 Å |
| c | 10.3211 ± 0.0014 Å |
| α | 90° |
| β | 92.596 ± 0.015° |
| γ | 90° |
| Cell volume | 1159.4 ± 0.2 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.0502 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1222 |
| Weighted residual factors for all reflections included in the refinement | 0.1262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179785 (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 7/00/81. |
7008130.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008130.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008130.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008130.cif |
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Users of the data should acknowledge the original authors of the
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