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Information card for entry 7153381
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| Coordinates | 7153381.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | rhenium cyclohexanol ester |
|---|---|
| Chemical name | rhenium cyclohexanol ester |
| Formula | C25 H23 B F4 N3 O5 Re |
| Calculated formula | C25 H23 B F4 N3 O5 Re |
| SMILES | [Re]1([n]2cccc(c2)C(=O)OC2CCCCC2)([n]2ccccc2c2[n]1cccc2)(C#[O])(C#[O])C#[O].[B](F)(F)(F)[F-] |
| Title of publication | Uptake and localisation of rhenium fac-tricarbonyl polypyridyls in fluorescent cell imaging experiments. |
| Authors of publication | Fernández-Moreira, Vanesa; Thorp-Greenwood, Flora L; Amoroso, Angelo J.; Cable, Joanne; Court, Jonathan B.; Gray, Victoria; Hayes, Anthony J.; Jenkins, Robert L.; Kariuki, Benson M.; Lloyd, David; Millet, Coralie O.; Williams, Catrin Ff; Coogan, Michael P. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2010 |
| Journal volume | 8 |
| Journal issue | 17 |
| Pages of publication | 3888 - 3901 |
| a | 16.742 ± 0.0003 Å |
| b | 12.498 ± 0.0004 Å |
| c | 12.076 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2526.8 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0505 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180319 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/33. |
7153381.cif |
| 171654 | 2015-12-20 | cod/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries in ranges 7, 8. |
7153381.cif |
| 93255 | 2014-01-12 | cif/ Adding structures of 7153381, 7153382, 7153383 via cif-deposit CGI script. |
7153381.cif |
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Users of the data should acknowledge the original authors of the
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