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Information card for entry 1100937
Preview
| Coordinates | 1100937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H31 K N O6 P |
|---|---|
| Calculated formula | C16 H31 K N O6 P |
| SMILES | [K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.P#C[N-]C(C)C |
| Title of publication | Synthesis and Structure of K^+^[^i^PrN=C=P]^-^, a 1-Aza-3λ^3^-phospha-3-allenide |
| Authors of publication | Becker, Gerd; Brombach, Heike; Horner, Stephen T.; Niecke, Edgar; Schwarz, Wolfgang; Streubel, Rainer; Würthwein, Ernst-Ulrich |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 9 |
| Pages of publication | 3080 - 3086 |
| a | 14.3655 ± 0.0019 Å |
| b | 8.8715 ± 0.0012 Å |
| c | 8.4647 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1078.8 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 31 |
| Hermann-Mauguin space group symbol | P m n 21 |
| Hall space group symbol | P 2ac -2 |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0904 |
| Weighted residual factors for all reflections included in the refinement | 0.0994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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