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Information card for entry 7008190
Preview
| Coordinates | 7008190.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C104 H136 Cu4 N4 O20 |
|---|---|
| Calculated formula | C104 H136 Cu4 N4 O20 |
| SMILES | CC(C)(C)C1C=C2c3cccc(c3)C3=[O][Cu]45(OC(=C3)C(C)(C)C)[O]=C(c3cccc(C6=[O][Cu]([n]7cc[n](cc7)[Cu]789[O]=C(c%10cccc(C%11=CC(C(C)(C)C)=[O][Cu]%12([n]%13cc[n]5cc%13)(O%11)OC(=CC(=[O]%12)c5cccc(c5)C(=[O]8)C=C(O9)C(C)(C)C)C(C)(C)C)c%10)C=C(O7)C(C)(C)C)([O]=1)(O2)OC(=C6)C(C)(C)C)c3)C=C(O4)C(C)(C)C.C1CCCO1.C1CCCO1.C1CCCO1.C1CCCO1 |
| Title of publication | Dinuclear bis-beta-diketonato ligand derivatives of iron(III) and copper(II) and use of the latter as components for the assembly of extended metallo-supramolecular structures. |
| Authors of publication | Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2005 |
| Journal issue | 5 |
| Pages of publication | 857 - 864 |
| a | 37.359 ± 0.003 Å |
| b | 14.9784 ± 0.001 Å |
| c | 20.4038 ± 0.0014 Å |
| α | 90° |
| β | 116.905 ± 0.001° |
| γ | 90° |
| Cell volume | 10181.7 ± 1.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0729 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1002 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| 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. |
7008190.cif |
| 179785 | 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 7/00/81. |
7008190.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008190.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008190.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008190.cif |
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Users of the data should acknowledge the original authors of the
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