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Information card for entry 4314508
Preview
| Coordinates | 4314508.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H84 Cl8 In8 N16 O7 S8 |
|---|---|
| Calculated formula | C102 H70 Cl8 In8 N16 O7 S8 |
| SMILES | [In]123(Cl)([S]4[In]56(Cl)([S]7[In]84(Cl)([S]1[In]17(Cl)([S]25)[n]2c4c5[n]1cccc5ccc4ccc2)[n]1c2c4[n]8cccc4ccc2ccc1)[n]1cccc2c1c1[n]6cccc1cc2)[n]1cccc2c1c1[n]3cccc1cc2.C(CO)O.OCCO.O |
| 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 | 16.2321 ± 0.0019 Å |
| b | 18.453 ± 0.002 Å |
| c | 20.458 ± 0.003 Å |
| α | 103.007 ± 0.003° |
| β | 107.427 ± 0.002° |
| γ | 98.118 ± 0.002° |
| Cell volume | 5551.2 ± 1.2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 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 | 0.0931 |
| Residual factor for significantly intense reflections | 0.0692 |
| Weighted residual factors for significantly intense reflections | 0.163 |
| Weighted residual factors for all reflections included in the refinement | 0.1795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179221 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/45. |
4314508.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314508.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314508.cif |
| 7651 | 2011-02-02 | ../uploads/cif-deposit/cod/cif Adding structures of 4314508 via cif-deposit CGI script. |
4314508.cif |
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Users of the data should acknowledge the original authors of the
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