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Information card for entry 2200769
Preview
| Coordinates | 2200769.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Aqua{5,15-bis[4-(2-trimethylsilylacetylene)phenyl]-2,8,12,18-tetrakis(2- methoxycarbonylethyl)-3,7,13,17-tetramethyl-10,20-dioxoporphyrinato}zinc(II) |
|---|---|
| Formula | C62 H68 N4 O11 Si2 Zn |
| Calculated formula | C62 H68 N4 O11 Si2 Zn |
| Title of publication | Aqua{5,15-bis[4-(2-trimethylsilylacetylene)phenyl]-2,8,12,18-tetrakis(2-methoxycarbonylethyl)-3,7,13,17-tetramethyl-10,20-dioxoporphyrinato}zinc(II) |
| Authors of publication | Bond, Andrew D.; Feeder, Neil; Teat, Simon J.; Clyde-Watson, Zoe; Bampos, Nick; Sanders, Jeremy K. M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 10 |
| Pages of publication | m454 - m456 |
| a | 12.57 ± 0.002 Å |
| b | 14.285 ± 0.003 Å |
| c | 17.502 ± 0.004 Å |
| α | 85.082 ± 0.01° |
| β | 69.225 ± 0.012° |
| γ | 87.07 ± 0.02° |
| Cell volume | 2926.8 ± 1 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 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 all reflections | 0.0756 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for all reflections included in the refinement | 0.1354 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.915 |
| Diffraction radiation wavelength | 0.6879 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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