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Information card for entry 4115745
Preview
| Coordinates | 4115745.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C105 H92 Co N8 O6 |
|---|---|
| Calculated formula | C102.6 H64 Co N8 O5.1 |
| Title of publication | Extremely Non-Planar Phthalocyanines with Saddle or Helical Conformation: Synthesis and Structural Characterizations |
| Authors of publication | Nagao Kobayashi; Takamitsu Fukuda; Keiji Ueno; Hiroshi Ogino |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2001 |
| Journal volume | 123 |
| Pages of publication | 10740 - 10741 |
| a | 31.46 ± 0.009 Å |
| b | 20.602 ± 0.004 Å |
| c | 28.041 ± 0.003 Å |
| α | 90° |
| β | 115.608 ± 0.001° |
| γ | 90° |
| Cell volume | 16389 ± 6 Å3 |
| Cell temperature | 150.2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.129 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4115745.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115745.cif |
| 69469 | 2012-12-18 | cif/ Adding structures of 4115745 via cif-deposit CGI script. |
4115745.cif |
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Users of the data should acknowledge the original authors of the
structural data.