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Information card for entry 7014373
Preview
| Coordinates | 7014373.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H102 Al2 Cl4 N4 O6 |
|---|---|
| Calculated formula | C80 H102 Al2 Cl4 N4 O6 |
| SMILES | [Al]1234([OH][Al]567([NH]([C@@H]8CCCC[C@H]8[NH]6Cc6cccc(c6O5)C(C)(C)C)Cc5cccc(c5O7)C(C)(C)C)[OH]4)[NH]([C@@H]4CCCC[C@H]4[NH]1Cc1cccc(c1O3)C(C)(C)C)Cc1cccc(c1O2)C(C)(C)C.c1(ccccc1)Cl.c1(ccccc1)Cl.c1(ccccc1)Cl.c1(ccccc1)Cl |
| Title of publication | Combined experimental and theoretical investigation into C-H activation of cyclic alkanes by Cp'Rh(CO)(2) (Cp' = η(5)-C(5)H(5) or η(5)-C(5)Me(5)). |
| Authors of publication | George, Michael W.; Hall, Michael B.; Portius, Peter; Renz, Amanda L.; Sun, Xue-Zhong; Towrie, Michael; Yang, Xinzheng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 8 |
| Pages of publication | 1751 - 1757 |
| a | 11.798 ± 0.0001 Å |
| b | 31.288 ± 0.0002 Å |
| c | 20.6198 ± 0.0002 Å |
| α | 90° |
| β | 100.3 ± 0.0003° |
| γ | 90° |
| Cell volume | 7488.85 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0986 |
| Residual factor for significantly intense reflections | 0.0855 |
| Weighted residual factors for significantly intense reflections | 0.2321 |
| Weighted residual factors for all reflections included in the refinement | 0.2457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179847 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/43. |
7014373.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014373.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014373.cif |
| 14739 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014372, 7014373 via cif-deposit CGI script. |
7014373.cif |
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