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Information card for entry 7050529
Preview
Coordinates | 7050529.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C88 H100 Cu2 N4 O11 |
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Calculated formula | C88 H100 Cu2 N4 O11 |
SMILES | [Cu]123Oc4c5C=[N]3c3c(OCCOCCOc6c([N]2=Cc2cc(cc(CC(=C)Cc7cc(cc8C=[N]9[Cu]%10(Oc%11c(CC(=C)Cc4cc(c5)C(C)(C)C)cc(C(C)(C)C)cc%11C=[N]%10c4ccccc4OCCOCCOc4ccccc94)Oc78)C(C)(C)C)c2O1)C(C)(C)C)cccc6)cccc3.O1CCCC1 |
Title of publication | The architecture of dinuclear Ni and Cu complexes: twisted and parallel forms controlled by the self-assembly of Schiff base ligands |
Authors of publication | Houjou, Hirohiko; Iwasaki, Atsushi; Ogihara, Tamako; Kanesato, Masatoshi; Akabori, Sadatoshi; Hiratani, Kazuhisa |
Journal of publication | New Journal of Chemistry |
Year of publication | 2003 |
Journal volume | 27 |
Journal issue | 5 |
Pages of publication | 886 |
a | 15.1713 ± 0.0004 Å |
b | 21.355 ± 0.0005 Å |
c | 12.5324 ± 0.0003 Å |
α | 98.364 ± 0.001° |
β | 92.0854 ± 0.0006° |
γ | 94.2007 ± 0.0009° |
Cell volume | 4001.75 ± 0.17 Å3 |
Cell temperature | 193.2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0629 |
Weighted residual factors for all reflections included in the refinement | 0.1171 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.645 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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