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Information card for entry 4077500
Preview
| Coordinates | 4077500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H132 Ag6 N2 Pt2 |
|---|---|
| Calculated formula | C58 H80 Ag4 N2 Pt2 |
| SMILES | [C]12#[C](C(C)(C)C)[Ag]31[C]([Pt]14[C]5#[C](C(C)(C)C)[Ag]65[C]([Pt]2([C]2#[C](C(C)(C)C)[Ag]52[C]4#[C]5C(C)(C)C)[C]2#[C](C(C)(C)C)[Ag]42[C]1#[C]4C(C)(C)C)#[C]6C(C)(C)C)#[C]3C(C)(C)C.n1ccccc1c1ncccc1 |
| Title of publication | Versatile Behavior of [Pt2Ag4(C⋮C-t-Bu)8]: Synthesis, Structures, and Properties of [{Pt2Ag4(C⋮C-t-Bu)8}{Ag(bipy)}]4+and an Unprecedented Chain Polymeric Cocrystallization Adduct with a 2,2‘-bipy Ligand |
| Authors of publication | Ara, Irene; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa |
| Journal of publication | Organometallics |
| Year of publication | 2000 |
| Journal volume | 19 |
| Journal issue | 16 |
| Pages of publication | 3137 |
| a | 10.892 ± 0.0003 Å |
| b | 11.861 ± 0.0003 Å |
| c | 12.778 ± 0.0003 Å |
| α | 73.858 ± 0.0014° |
| β | 77.346 ± 0.0015° |
| γ | 87.235 ± 0.0013° |
| Cell volume | 1547.05 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0662 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1407 |
| Weighted residual factors for all reflections included in the refinement | 0.1579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.214 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178664 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/75. |
4077500.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077500.cif |
| 54596 | 2012-04-28 | cif/ Adding structures of 4077500, 4077501 via cif-deposit CGI script. |
4077500.cif |
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Users of the data should acknowledge the original authors of the
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