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Information card for entry 8000152
Preview
| Coordinates | 8000152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H100 Cl2 N4 O12 P4 |
|---|---|
| Calculated formula | C102 H100 Cl2 N4 O12 P4 |
| SMILES | ClCCCl.P(=O)([O-])(O)c1ccccc1.[NH3+]C(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Topologically Different Two Pseudo-decahedral Hydrogen-bond Networks Composed of Triphenylmethylammonium Phosphonates |
| Authors of publication | Yuge, Tetsuharu; Kai, Nobuyasu; Hisaki, Ichiro; Miyata, Mikiji; Norimitsu, Tohnai |
| Journal of publication | Chemistry Letters |
| Year of publication | 2007 |
| Journal volume | 36 |
| Journal issue | 11 |
| Pages of publication | 1390 |
| a | 14.013 ± 0.003 Å |
| b | 14.983 ± 0.003 Å |
| c | 23.595 ± 0.005 Å |
| α | 85.485 ± 0.013° |
| β | 80.455 ± 0.011° |
| γ | 67.351 ± 0.012° |
| Cell volume | 4508 ± 1.7 Å3 |
| Cell temperature | 273.1 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 significantly intense reflections | 0.0594 |
| Weighted residual factors for all reflections included in the refinement | 0.1597 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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