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Information card for entry 7203680
Preview
| Coordinates | 7203680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound 3 |
|---|---|
| Formula | C76 H103 Br Cl In N8 O2 |
| Calculated formula | C76 H103 Br Cl In N8 O2 |
| Title of publication | X-Ray crystallographic studies of three substituted indium(iii) phthalocyanines: effect of ring substitution and the axial ligand on molecular geometry and packing |
| Authors of publication | Aurélien Auger; Paul M. Burnham; Isabelle Chambrier; Michael J. Cook; David L. Hughes |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2005 |
| Journal volume | 15 |
| Journal issue | 1 |
| Pages of publication | 168 |
| a | 12.694 ± 0.003 Å |
| b | 17.033 ± 0.003 Å |
| c | 17.996 ± 0.004 Å |
| α | 108.54 ± 0.03° |
| β | 103.32 ± 0.03° |
| γ | 92.96 ± 0.03° |
| Cell volume | 3556.8 ± 1.6 Å3 |
| Cell temperature | 140 ± 1 K |
| Ambient diffraction temperature | 140 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1258 |
| Residual factor for significantly intense reflections | 0.0682 |
| Weighted residual factors for significantly intense reflections | 0.1707 |
| Weighted residual factors for all reflections included in the refinement | 0.1885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180367 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/36. |
7203680.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203680.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203680.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203680.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.