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Information card for entry 2239109
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| Coordinates | 2239109.cif |
|---|---|
| Structure factors | 2239109.hkl |
| Original IUCr paper | HTML |
| Common name | [Cp*RuCl3RuCp*][PF6] |
|---|---|
| Chemical name | Tri-μ-chlorido-bis[(η^5^-pentamethylcyclopentadienyl)rhodium(III)] hexafluoridophosphate |
| Formula | C20 H30 Cl3 F6 P Rh2 |
| Calculated formula | C20 H30 Cl3 F6 P Rh2 |
| SMILES | [Rh]123456([c]7([c]1([c]2([c]3([c]47C)C)C)C)C)[Cl][Rh]1234([Cl]5)([Cl]6)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Tri-μ-chlorido-bis[(η^5^-pentamethylcyclopentadienyl)rhodium(III)] hexafluoridophosphate from synchrotron radiation |
| Authors of publication | Ezzedinloo, Lida; Shrestha, Sumi; Bhadbhade, Mohan; Colbran, Stephen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | m14 - m15 |
| a | 8.097 ± 0.0016 Å |
| b | 12.604 ± 0.003 Å |
| c | 14.441 ± 0.003 Å |
| α | 64.28 ± 0.03° |
| β | 82.42 ± 0.03° |
| γ | 86.7 ± 0.03° |
| Cell volume | 1316.2 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0254 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0593 |
| Weighted residual factors for all reflections included in the refinement | 0.0595 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181891 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239109.cif 2239109.hkl |
| 181310 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/91. |
2239109.cif 2239109.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239109.cif 2239109.hkl |
| 104998 | 2014-03-11 | cif/ hkl/ Adding structures of 2239109 via cif-deposit CGI script. |
2239109.cif 2239109.hkl |
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Users of the data should acknowledge the original authors of the
structural data.