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Information card for entry 2231242
Preview
| Coordinates | 2231242.cif |
|---|---|
| Structure factors | 2231242.hkl |
| Original IUCr paper | HTML |
| Chemical name | [Bis(pyridin-2-ylmethyl) ether]trichloridorhodium(III) dichloromethane monosolvate |
|---|---|
| Formula | C13 H14 Cl5 N2 O Rh |
| Calculated formula | C13 H14 Cl5 N2 O Rh |
| SMILES | c12cccc[n]2[Rh]2([n]3c(C[O]2C1)cccc3)(Cl)(Cl)Cl.C(Cl)Cl |
| Title of publication | [Bis(pyridin-2-ylmethyl) ether]trichloridorhodium(III) dichloromethane monosolvate: unusual hydrolysis of the methylene bridge in (pyrazolylmethyl)pyridine |
| Authors of publication | Ojwach, Stephen O.; Omondi, Bernard; Darkwa, James |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1097 |
| a | 9.536 ± 0.0018 Å |
| b | 12.527 ± 0.002 Å |
| c | 14.34 ± 0.003 Å |
| α | 90° |
| β | 95.071 ± 0.004° |
| γ | 90° |
| Cell volume | 1706.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.09 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.114 |
| Weighted residual factors for all reflections included in the refinement | 0.1392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181234 (current) | 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 2/23/12. |
2231242.cif 2231242.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. |
2231242.cif 2231242.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231242.cif 2231242.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. | 2231242.cif 2231242.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231242.cif 2231242.hkl |
| 27156 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231242 via cif-deposit CGI script. |
2231242.cif |
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Users of the data should acknowledge the original authors of the
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