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Information card for entry 7002462
Preview
| Coordinates | 7002462.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H60 Cl4 N2 O2 Zn |
|---|---|
| Calculated formula | C56 H60 Cl4 N2 O2 Zn |
| SMILES | [Zn]12(Oc3c(c4ccc(cc4cc3C(C)(C)C)C(C)(C)C)c3[n]1ccc1ccccc31)Oc1c(c3ccc(cc3cc1C(C)(C)C)C(C)(C)C)c1[n]2ccc2ccccc12.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Synthesis and structures of complexes with axially chiral isoquinolinyl-naphtholate ligands |
| Authors of publication | Howard, Ruth H.; Alonso-Moreno, Carlos; Broomfield, Lewis M.; Hughes, David L.; Wright, Joseph A.; Bochmann, Manfred |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 40 |
| Pages of publication | 8667 - 8682 |
| a | 11.3702 ± 0.0007 Å |
| b | 22.8448 ± 0.0008 Å |
| c | 19.5818 ± 0.001 Å |
| α | 90° |
| β | 101.385 ± 0.005° |
| γ | 90° |
| Cell volume | 4986.3 ± 0.4 Å3 |
| Cell temperature | 140 ± 1 K |
| Ambient diffraction temperature | 140 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1099 |
| Weighted residual factors for all reflections included in the refinement | 0.1172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7002462.cif |
| 179724 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/24. |
7002462.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002462.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002462.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002462.cif |
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