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Information card for entry 2204607
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| Coordinates | 2204607.cif |
|---|---|
| Structure factors | 2204607.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[3-(trimethylsilyl)propyl] methylenebisphosphonate |
|---|---|
| Formula | C13 H34 O6 P2 Si2 |
| Calculated formula | C13 H34 O6 P2 Si2 |
| SMILES | C(CC[Si](C)(C)C)OP(=O)(CP(=O)(O)OCCC[Si](C)(C)C)O |
| Title of publication | Bis[3-(trimethylsilyl)propyl] methylenebisphosphonate |
| Authors of publication | McLauchlan, Craig C.; Stepinski, Dominique C.; Herlinger, Albert W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 12 |
| Pages of publication | o2232 - o2234 |
| a | 6.534 ± 0.002 Å |
| b | 11.13 ± 0.002 Å |
| c | 16.325 ± 0.002 Å |
| α | 100.64 ± 0.01° |
| β | 100.25 ± 0.01° |
| γ | 106.23 ± 0.02° |
| Cell volume | 1086.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0815 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.1591 |
| Weighted residual factors for all reflections included in the refinement | 0.178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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