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Information card for entry 7033390
Preview
| Coordinates | 7033390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Al-complex |
|---|---|
| Chemical name | Al-complex AlPh2pz |
| Formula | C97 H74 Al2 N12 Na2 |
| Calculated formula | C97 H74 Al2 N12 Na2 |
| SMILES | c1(cc([n]2n1[Al]13n4[n]([Na]([n]5c(cc(n15)c1ccccc1)c1ccccc1)[n]1c(cc(n1[Al]3(n1c(cc(c3ccccc3)[n]1[Na]12)c2ccccc2)n2c(c3ccccc3)cc(c3ccccc3)[n]21)c1ccccc1)c1ccccc1)c(c1ccccc1)cc4c1ccccc1)c1ccccc1)c1ccccc1.c1ccccc1C |
| Title of publication | Synthesis, structure, and properties of a dialumane supported by pyrazolate ligands. |
| Authors of publication | Snyder, Christopher J.; Zavalij, Peter; Bowen, Kit; Schnöckel, Hansgeorg; Eichhorn, Bryan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 7 |
| Pages of publication | 2956 - 2958 |
| a | 10.8421 ± 0.0007 Å |
| b | 12.1075 ± 0.0007 Å |
| c | 15.5072 ± 0.001 Å |
| α | 79.8104 ± 0.001° |
| β | 85.2777 ± 0.001° |
| γ | 80.2888 ± 0.0009° |
| Cell volume | 1971.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180039 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/33. |
7033390.cif |
| 133292 | 2015-03-06 | cif/ Updating files of 7033390 Original log message: Adding full bibliography for 7033390.cif. |
7033390.cif |
| 128533 | 2014-12-12 | cif/ Adding structures of 7033390 via cif-deposit CGI script. |
7033390.cif |
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