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Information card for entry 4066048
Preview
| Coordinates | 4066048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H36 Cl2 Cr Mn N O9 Si |
|---|---|
| Calculated formula | C36 H36 Cl2 Cr Mn N O9 Si |
| SMILES | [Mn]1([n]2cccc3[c]45[c]6([Cr]7894([c]6([c]7([c]8(O[Si](C(C)(C)C)(C)C)[c]59c4cccc1c4c23)CC)CC)(C#[O])(C#[O])C#[O])OC)(C#[O])(C#[O])(C#[O])C#[O].C(Cl)Cl |
| Title of publication | Dibenzo[f,h]quinoline Cr(CO)3Complexes: Synthesis by Chromium-Templated Benzannulation, Cyclomanganation, and Haptotropic Chromium Migration |
| Authors of publication | Dubarle Offner, Julien; Schnakenburg, Gregor; Rose-Munch, Françoise; Rose, Eric; Dötz, Karl Heinz |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 15 |
| Pages of publication | 3308 |
| a | 13.0742 ± 0.0002 Å |
| b | 21.2949 ± 0.0004 Å |
| c | 27.0004 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7517.3 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0615 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.1041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178504 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/60. |
4066048.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066048.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066048.cif |
| 33762 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066042, 4066043, 4066044, 4066045, 4066046, 4066047, 4066048 via cif-deposit CGI script. |
4066048.cif |
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