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Information card for entry 4105091
Preview
| Coordinates | 4105091.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H39 Cl N2 O P Rh S |
|---|---|
| Calculated formula | C46 H39 Cl N2 O P Rh S |
| SMILES | [Rh]1(Cl)([P]2(C3=C4C(=C2C(c2[n]1c(cc2)=C(c1sc(cc1)C(=c1nc(cc1)C3(C)C)c1ccccc1)c1ccccc1)(C)C)CCC4)c1ccccc1)C#[O] |
| Title of publication | Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition Metal Complexes |
| Authors of publication | Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 14123 - 14123 |
| a | 13.669 ± 0.006 Å |
| b | 14.829 ± 0.007 Å |
| c | 18.824 ± 0.008 Å |
| α | 90° |
| β | 91.964 ± 0.008° |
| γ | 90° |
| Cell volume | 3813 ± 3 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.1435 |
| Residual factor for significantly intense reflections | 0.1127 |
| Weighted residual factors for significantly intense reflections | 0.2041 |
| Weighted residual factors for all reflections included in the refinement | 0.2285 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.264 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178796 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/50. |
4105091.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105091.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105091.cif |
| 30283 | 2011-11-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4105091 via cif-deposit CGI script. |
4105091.cif |
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