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Information card for entry 4063417
Preview
| Coordinates | 4063417.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H98 Ag4 F24 N18 P4 |
|---|---|
| Calculated formula | C72 H98 Ag4 F24 N18 P4 |
| SMILES | [Ag]1=C2N(c3c(N4C(=[Ag]5)N(C=C4)CCCC)cc4N6C(=[Ag]=C7N(c8c(N9C(=[Ag]=C%10N(c4c3)C=CN%10CCCC)N(C=C9)CCCC)cc(N3C=1N(C=C3)CCCC)c(N1C=5N(C=C1)CCCC)c8)C=CN7CCCC)N(C=C6)CCCC)C=CN2CCCC.[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-].N#CC.N#CC |
| Title of publication | Supramolecular Structures from Polycarbene Ligands and Transition Metal Ions |
| Authors of publication | Rit, Arnab; Pape, Tania; Hepp, Alexander; Hahn, F. Ekkehardt |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 2 |
| Pages of publication | 334 - 347 |
| a | 13.6501 ± 0.0006 Å |
| b | 34.1296 ± 0.0014 Å |
| c | 20.1054 ± 0.0008 Å |
| α | 90° |
| β | 99.195 ± 0.001° |
| γ | 90° |
| Cell volume | 9246.2 ± 0.7 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.0952 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178529 (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 4/06/34. |
4063417.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063417.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063417.cif |
| 19018 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4063417 via cif-deposit CGI script. |
4063417.cif |
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Users of the data should acknowledge the original authors of the
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