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Information card for entry 7004996
Preview
Coordinates | 7004996.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H25 Cu2 N11 O S2 |
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Calculated formula | C21 H25 Cu2 N11 O S2 |
SMILES | [Cu]123(n4[n]5[Cu]67([n]8n3c3C=[N]2CCC[N]1=Cc4cc5C=[N]7CCC[N]6=Cc8c3)N=C=S)N=C=S.O=CN(C)C |
Title of publication | Dicopper(II) complexes of a new pyrazolate-containing Schiff-base macrocycle and related acyclic ligand. |
Authors of publication | de Geest, Duncan J.; Noble, Andy; Moubaraki, Boujemaa; Murray, Keith S.; Larsen, David S.; Brooker, Sally |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 4 |
Pages of publication | 467 - 475 |
a | 16.272 ± 0.005 Å |
b | 14.165 ± 0.004 Å |
c | 11.528 ± 0.003 Å |
α | 90° |
β | 95.869 ± 0.004° |
γ | 90° |
Cell volume | 2643.2 ± 1.3 Å3 |
Cell temperature | 165 ± 2 K |
Ambient diffraction temperature | 165 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0965 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for significantly intense reflections | 0.1248 |
Weighted residual factors for all reflections included in the refinement | 0.1368 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7004996.html
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