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Information card for entry 7222364
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| Coordinates | 7222364.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H22 N10 O7 Pb |
|---|---|
| Calculated formula | C12 H22 N10 O7 Pb |
| SMILES | [Pb]([n]1ccc(c2[n-]nnn2)cc1)([n]1ccc(c2n[n-]nn2)cc1)([OH2])([OH2])[OH2].O.O.O.O |
| Title of publication | Substituted group directed assembly of energetic lead(II) compounds based on structure-relevant ligands |
| Authors of publication | Yang, Gao-Wen; Zhang, Fei Fei; Wu, Qi; Cao, Meng Jie; Bai, Yu; Li, Qiao-Yun; Wei, Bo; Zou, Jian Hua |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 8.125 ± 0.0016 Å |
| b | 10.772 ± 0.002 Å |
| c | 12.866 ± 0.003 Å |
| α | 70.45 ± 0.03° |
| β | 76.89 ± 0.03° |
| γ | 89.02 ± 0.03° |
| Cell volume | 1031.4 ± 0.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.0451 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.786 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 159059 (current) | 2015-09-30 | cif/ Adding structures of 7222364, 7222365 via cif-deposit CGI script. |
7222364.cif |
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