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Information card for entry 2019360
Preview
| Coordinates | 2019360.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H100 B2 N4 O16 P8 Rh2 |
|---|---|
| Calculated formula | C68 H100 B2 N4 O16 P8 Rh2 |
| SMILES | CO[P]1(N(C)[P](OC)(OC)[Rh]2([P](N(C)[P](OC)(OC)[Rh]31[P](N(C)[P]3(OC)OC)(OC)OC)(OC)OC)[P](N(C)[P]2(OC)OC)(OC)OC)OC.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | The development of Laue techniques for single-pulse diffraction of chemical complexes: time-resolved Laue diffraction on a binuclear rhodium metal-organic complex |
| Authors of publication | Makal, Anna; Trzop, Elzbieta; Sokolow, Jesse; Kalinowski, Jaroslaw; Benedict, Jason; Coppens, Philip |
| Journal of publication | Acta Crystallographica Section A Foundations of Crystallography |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | 319 - 326 |
| a | 13.9783 ± 0.0003 Å |
| b | 20.2046 ± 0.0005 Å |
| c | 28.1465 ± 0.0007 Å |
| α | 90° |
| β | 90.842 ± 0.001° |
| γ | 90° |
| Cell volume | 7948.4 ± 0.3 Å3 |
| Cell temperature | 225 ± 2 K |
| Ambient diffraction temperature | 225 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0401 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176760 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019360.cif |
| 99289 | 2014-01-30 | cif/ Adding structures of 2019360 via cif-deposit CGI script. |
2019360.cif |
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Users of the data should acknowledge the original authors of the
structural data.