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Information card for entry 4326376
Preview
| Coordinates | 4326376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C119 H183 Al N2 Na4 O13 |
|---|---|
| Calculated formula | C119 H183 Al N2 Na4 O13 |
| SMILES | [Al]123([N](Cc4cc(cc(c4O1)C(C)(C)C)C(C)(C)C)(Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)C.[Na]([O]1[Na]23[N](Cc4cc(cc(c4[O]3[Na]([O]3CCCC3)[O]3CCCC3)C(C)(C)C)C(C)(C)C)(Cc3cc(cc(c13)C(C)(C)C)C(C)(C)C)Cc1cc(cc(c1[O]2[Na]([O]1CCCC1)[O]1CCCC1)C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1.O1CCCC1 |
| Title of publication | Multimetallic Synergic Sedation of a Labile Sodium Atrane: Synthesis and Characterization of a Tetranuclear Sodium Atrane Cation Complex |
| Authors of publication | Jinfeng Zhang; Ai Liu; XiaoBo Pan; Lihui Yao; Lei Wang; Jianguo Fang; Jincai Wu |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 9564 - 9570 |
| a | 16.87 ± 0.04 Å |
| b | 20.35 ± 0.05 Å |
| c | 21.04 ± 0.05 Å |
| α | 73.39 ± 0.03° |
| β | 68.25 ± 0.03° |
| γ | 87.13 ± 0.03° |
| Cell volume | 6416 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.294 |
| Residual factor for significantly intense reflections | 0.0788 |
| Weighted residual factors for significantly intense reflections | 0.1361 |
| Weighted residual factors for all reflections included in the refinement | 0.1821 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.718 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179366 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/63. |
4326376.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4326376.cif |
| 48540 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4326376 via cif-deposit CGI script. |
4326376.cif |
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