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Information card for entry 7006327
Preview
| Coordinates | 7006327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H54 N6 O3 |
|---|---|
| Calculated formula | C45 H54 N6 O3 |
| SMILES | Oc1c2C=N[C@H]3[C@H](N=Cc4cc(cc(C=N[C@H]5[C@H](N=Cc6cc(cc(C=N[C@H]7[C@H](N=Cc1cc(c2)C)CCCC7)c6O)C)CCCC5)c4O)C)CCCC3 |
| Title of publication | Lanthanide complexes of chiral 3 + 3 macrocycles derived from (1R,2R)-1,2-diaminocyclohexane and 2,6-diformyl-4-methylphenol. |
| Authors of publication | Paluch, Marta; Lisowski, Jerzy; Lis, Tadeusz |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 2 |
| Pages of publication | 381 - 388 |
| a | 14.65 ± 0.004 Å |
| b | 18.789 ± 0.004 Å |
| c | 14.803 ± 0.004 Å |
| α | 90° |
| β | 92.56 ± 0.03° |
| γ | 90° |
| Cell volume | 4070.6 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.096 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1305 |
| Weighted residual factors for all reflections included in the refinement | 0.1521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.893 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| 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. |
7006327.cif |
| 179767 | 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 7/00/63. |
7006327.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006327.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006327.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006327.cif |
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Users of the data should acknowledge the original authors of the
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