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Information card for entry 2018449
Preview
| Coordinates | 2018449.cif |
|---|---|
| Structure factors | 2018449.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | bis(methanolate)bis(tetrafluorobenzobarrelene)rhodium |
|---|---|
| Formula | C26 H18 F8 O2 Rh2 |
| Calculated formula | C26 H18 F8 O2 Rh2 |
| SMILES | [CH]12C3[CH]4[Rh]5671([O](C)[Rh]1897([CH]7=[CH]1C1[CH]8=[CH]9C7c7c(c(F)c(F)c(F)c17)F)[O]6C)[CH]=2C([CH]=45)c1c(c(F)c(F)c(F)c31)F |
| Title of publication | Di-μ-methanolato-bis[(η^4^-tetrafluorobenzobarrelene)rhodium(I)] |
| Authors of publication | García-Orduña, Pilar; Mena, Inmaculada; Casado, Miguel A.; Lahoz, Fernando J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m113 - m116 |
| a | 25.7648 ± 0.0017 Å |
| b | 10.8166 ± 0.0007 Å |
| c | 8.0542 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2244.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 52 |
| Hermann-Mauguin space group symbol | P n n a |
| Hall space group symbol | -P 2a 2bc |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0656 |
| Weighted residual factors for all reflections included in the refinement | 0.0693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2018449.cif 2018449.hkl |
| 180853 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/84. |
2018449.cif 2018449.hkl |
| 176760 | 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. |
2018449.cif 2018449.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018449.cif 2018449.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018449.cif 2018449.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018449.cif 2018449.hkl |
| 55354 | 2012-05-05 | cif/ Adding structures of 2018449 via cif-deposit CGI script. |
2018449.cif |
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Users of the data should acknowledge the original authors of the
structural data.