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Information card for entry 7208539
Preview
| Coordinates | 7208539.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H47.66667 Cl4 N11 O25.33333 Pd Pt |
|---|---|
| Calculated formula | C10 H29 Cl4 N11 O25.3333 Pd Pt |
| SMILES | c1nc2c([n](cn2C)[Pt]([NH3])([NH3])[NH3])c([n]1[Pd]12[NH2]CC[NH]1CC[NH2]2)N.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.O |
| Title of publication | Unsupported single-walled water cluster nanotube: A novel hydrogen bonding pattern for water organization |
| Authors of publication | Albertí, Francisca M.; Mihály, Tímea; Lippert, Bernhard; Miguel, Pablo J. Sanz |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 19 |
| Pages of publication | 6178 |
| a | 46.8185 ± 0.0015 Å |
| b | 46.8185 ± 0.0015 Å |
| c | 9.4253 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 17892.1 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1222 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.119 |
| Weighted residual factors for all reflections included in the refinement | 0.128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206958 (current) | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7208539.cif |
| 180416 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/85. |
7208539.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7208539.cif |
| 66486 | 2012-09-11 | cif/ Adding structures of 7208539 via cif-deposit CGI script. |
7208539.cif |
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Users of the data should acknowledge the original authors of the
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