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Information card for entry 7002463
Preview
| Coordinates | 7002463.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C120 H140 Mg2 N4 O4 |
|---|---|
| Calculated formula | C120 H140 Mg2 N4 O4 |
| SMILES | c1(c2[n]3ccc4ccccc24)c(c(cc2c1ccc(c2)C(C)(C)C)C(C)(C)C)[O]1[Mg]23(Oc3c(c4c(cc3C(C)(C)C)cc(cc4)C(C)(C)C)c3[n]2ccc2ccccc23)[O](c2c(c3c(cc2C(C)(C)C)cc(cc3)C(C)(C)C)c2[n]3ccc4ccccc24)[Mg]321Oc1c(c3c(cc1C(C)(C)C)cc(cc3)C(C)(C)C)c1[n]2ccc2ccccc12.CCCC(C)C.CCCC(C)C |
| 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 | 29.69 ± 0.002 Å |
| b | 17.4249 ± 0.0015 Å |
| c | 22.903 ± 0.0018 Å |
| α | 90° |
| β | 109.804 ± 0.007° |
| γ | 90° |
| Cell volume | 11148 ± 1.6 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1505 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1398 |
| Weighted residual factors for all reflections included in the refinement | 0.1605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.835 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7002463.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. |
7002463.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002463.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002463.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002463.cif |
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