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Information card for entry 4000975
Preview
| Coordinates | 4000975.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H44 In6 N11 Te9 |
|---|---|
| Calculated formula | C10 H38 In6 N10 Te9 |
| Title of publication | A Polar and Chiral Indium Telluride Featuring Supertetrahedral T2 Clusters and Nonlinear Optical Second Harmonic Generation |
| Authors of publication | Zhang, Qichun; Chung, In; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2009 |
| Journal volume | 21 |
| Journal issue | 1 |
| Pages of publication | 12 |
| a | 11.6147 ± 0.0002 Å |
| b | 11.6147 ± 0.0002 Å |
| c | 51.9135 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6064.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 169 |
| Hermann-Mauguin space group symbol | P 61 |
| Hall space group symbol | P 61 |
| Residual factor for all reflections | 0.0864 |
| Residual factor for significantly intense reflections | 0.0772 |
| Weighted residual factors for significantly intense reflections | 0.1645 |
| Weighted residual factors for all reflections included in the refinement | 0.1735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288253 (current) | 2023-12-12 | cif/ Corrected the misspelt variants of the '_diffrn_measurement_device_type' data name in entries 1514541, 4000975, 4001452, 4508206. Changed data name '_co_computing_molecular_graphics' to '_computing_molecular_graphics' in entry 4000975. |
4000975.cif |
| 178377 | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4000975.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4000975.cif |
| 38857 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4000975 via cif-deposit CGI script. |
4000975.cif |
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Users of the data should acknowledge the original authors of the
structural data.