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Information card for entry 1515098
Preview
| Coordinates | 1515098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C132 H104 Ag4 F24 N16 P4 |
|---|---|
| Calculated formula | C132 H104 Ag4 F24 N16 P4 |
| SMILES | [Ag](=C1N2C(c3ccccc3)=C(c3ccccc3)N1CN1C(=[Ag]3)N(C(c4ccccc4)=C1c1ccccc1)CCN1C(c4ccccc4)=C(c4ccccc4)N(CN4C(c5ccccc5)=C(c5ccccc5)N(CC2)C=34)C1=[Ag]1)=C2N3CCN4C(c5ccccc5)=C(c5ccccc5)N(CN5C(c6ccccc6)=C(c6ccccc6)N(C=15)CCN1C(c5ccccc5)=C(c5ccccc5)N(C1=[Ag]1)CN2C(c2ccccc2)=C3c2ccccc2)C=14.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes |
| Authors of publication | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. |
| Journal of publication | Chemical Science |
| Year of publication | 2012 |
| Journal volume | 3 |
| Journal issue | 10 |
| Pages of publication | 3081 |
| a | 14.122 ± 0.002 Å |
| b | 17.707 ± 0.003 Å |
| c | 32.571 ± 0.005 Å |
| α | 93.111 ± 0.002° |
| β | 97.694 ± 0.002° |
| γ | 109.952 ± 0.002° |
| Cell volume | 7543 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0648 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.1148 |
| Weighted residual factors for all reflections included in the refinement | 0.1231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1515098.cif |
| 110865 | 2014-04-20 | cif/ Adding structures of 1515096, 1515097, 1515098, 1515099, 1515100, 1515101, 1515102, 1515103, 1515104, 1515105, 1515106, 1515107 via cif-deposit CGI script. |
1515098.cif |
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Users of the data should acknowledge the original authors of the
structural data.