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Information card for entry 4311631
Preview
| Coordinates | 4311631.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | TpOs[NH-p-C6H4(N(CH2)4)]Cl2*CD3CN |
|---|---|
| Chemical name | TpOs[NH-p-C6H4(N(CH2)4)]Cl2*CD3CN |
| Formula | C21 H26 B Cl2 N9 Os |
| Calculated formula | C21 H26 B Cl2 N9 Os |
| SMILES | c1ccn2[n]1[Os]1([n]3cccn3[BH]2n2ccc[n]12)(Nc1ccc(cc1)N1CCCC1)(Cl)Cl.CC#N |
| Title of publication | Nucleophilic Aromatic Substitution on Aryl-Amido Ligands Promoted by Oxidizing Osmium(IV) Centers |
| Authors of publication | Jake D. Soper; Erik Saganic; David Weinberg; David A. Hrovat; Jason B. Benedict; Werner Kaminsky; James M. Mayer |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 5804 - 5815 |
| a | 8.603 ± 0.0003 Å |
| b | 27.533 ± 0.0011 Å |
| c | 10.456 ± 0.0003 Å |
| α | 90° |
| β | 97.632 ± 0.002° |
| γ | 90° |
| Cell volume | 2454.74 ± 0.15 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0423 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0694 |
| Weighted residual factors for all reflections included in the refinement | 0.0729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179155 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/16. |
4311631.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4311631.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311631.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311631.cif |
| 3130 | 2010-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4311631 via cif-deposit CGI script. |
4311631.cif |
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