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Information card for entry 4335427
Preview
| Coordinates | 4335427.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | CH2Cl2@[Ag4(tppepb)4]I4 |
|---|---|
| Formula | C266 H184 Ag4 Cl4 I4 P12 |
| Calculated formula | C266 H184 Ag4 Cl4 I4 P12 |
| SMILES | [Ag]12(I)[P](c3ccccc3)(c3ccccc3)C#Cc3ccc(cc3)c3cc4c5ccc(cc5)C#C[P](c5ccccc5)(c5ccccc5)[Ag]5(I)[P](c6ccccc6)(c6ccccc6)C#Cc6ccc(cc6)c6cc(cc(c6)c6ccc(cc6)C#C[P]1(c1ccccc1)c1ccccc1)c1ccc(cc1)C#C[P](c1ccccc1)(c1ccccc1)[Ag]1(I)[P](c6ccccc6)(c6ccccc6)C#Cc6ccc(cc6)c6cc(c7ccc(cc7)C#C[P]5(c5ccccc5)c5ccccc5)cc(c6)c5ccc(cc5)C#C[P](c5ccccc5)(c5ccccc5)[Ag](I)([P](c5ccccc5)(C#Cc5ccc(c(c4)c3)cc5)c3ccccc3)[P](c3ccccc3)(c3ccccc3)C#Cc3ccc(cc3)c3cc(c4ccc(cc4)C#C[P]2(c2ccccc2)c2ccccc2)cc(c3)c2ccc(cc2)C#C[P]1(c1ccccc1)c1ccccc1.ClCCl.ClCCl |
| Title of publication | Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates |
| Authors of publication | Sang Ho Lim; Seth M. Cohen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 7862 - 7872 |
| a | 21.783 ± 0.004 Å |
| b | 31.274 ± 0.006 Å |
| c | 31.425 ± 0.006 Å |
| α | 60.195 ± 0.007° |
| β | 81.689 ± 0.007° |
| γ | 73.616 ± 0.006° |
| Cell volume | 17822 ± 6 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 | 0.104 |
| Residual factor for significantly intense reflections | 0.0737 |
| Weighted residual factors for significantly intense reflections | 0.1901 |
| Weighted residual factors for all reflections included in the refinement | 0.2141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179457 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/54. |
4335427.cif |
| 101356 | 2014-02-13 | cif/ Adding structures of 4335427 via cif-deposit CGI script. |
4335427.cif |
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Users of the data should acknowledge the original authors of the
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