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Information card for entry 4314507
Preview
| Coordinates | 4314507.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H32 Cl4 In4 N8 O0 Se4 |
|---|---|
| Calculated formula | C48 H32 Cl4 In4 N8 Se4 |
| SMILES | [In]123([Se]4[In]56([Se]7[In]8([Se]1[In]147(Cl)[n]4cccc7c4c4[n]1cccc4cc7)([Se]25)(Cl)[n]1cccc2c1c1[n]8cccc1cc2)(Cl)[n]1cccc2c1c1[n]6cccc1cc2)(Cl)[n]1c2c(ccc4c2[n]3ccc4)ccc1 |
| Title of publication | Indium Chalcogenido Clusters Coordinated by 1,10-Phenanthroline, [InQ(phen)Cl]4 (Q = Se, S), a Simplified Model of Inorganic-Organic Hybrid Material with Cluster-to-Ligand Charge Transfer |
| Authors of publication | Zhi-Xin Lei; Qin-Yu Zhu; Ming-Hui Zhang; Jian-Bing Jiang; Ya-Ping Zhang; Jie Dai |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 353 - 355 |
| a | 12.1496 ± 0.0006 Å |
| b | 12.1496 ± 0.0006 Å |
| c | 34.47 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5088.2 ± 0.5 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 76 |
| Hermann-Mauguin space group symbol | P 41 |
| Hall space group symbol | P 4w |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4314507.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314507.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314507.cif |
| 7650 | 2011-02-02 | ../uploads/cif-deposit/cod/cif Adding structures of 4314507 via cif-deposit CGI script. |
4314507.cif |
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