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Information card for entry 4339775
Preview
| Coordinates | 4339775.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ge(Pc)(t-py)2 |
|---|---|
| Formula | C50 H42 Ge N10 |
| Calculated formula | C50 H42 Ge N10 |
| SMILES | c12=Nc3[n]4c(=Nc5c6c(c7n5[Ge]54(n2c(=Nc2[n]5c(=N7)c4c2cccc4)c2c1cccc2)([n]1ccc(cc1)C(C)(C)C)[n]1ccc(cc1)C(C)(C)C)cccc6)c1ccccc31 |
| Title of publication | Germanium phthalocyanine, GePc, and the reduced complexes SiPc(pyridine)(2) and GePc(pyridine)(2) containing antiaromatic pi-electron circuits. |
| Authors of publication | Cissell, Julie A.; Vaid, Thomas P.; Dipasquale, Antonio G.; Rheingold, Arnold L. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 19 |
| Pages of publication | 7713 - 7715 |
| a | 13.312 ± 0.0008 Å |
| b | 17.7477 ± 0.001 Å |
| c | 10.8177 ± 0.0006 Å |
| α | 90° |
| β | 106.38 ± 0.003° |
| γ | 90° |
| Cell volume | 2452 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.118 |
| Weighted residual factors for all reflections included in the refinement | 0.1303 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204147 (current) | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
4339775.cif |
| 179500 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97. |
4339775.cif |
| 117532 | 2014-06-15 | cif/ Adding structures of 4339775 via cif-deposit CGI script. |
4339775.cif |
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Users of the data should acknowledge the original authors of the
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