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Information card for entry 7007500
Preview
Coordinates | 7007500.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H79 Cl3 Cu3 N4 O16 |
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Calculated formula | C47 H79 Cl3 Cu3 N4 O16 |
SMILES | [Cu]12([N]([C@@H]3O[C@H]4[C@@H](O[C@@H](OC4)C)[C@@H]4O[Cu]5([O]2[C@@H]34)[O]2[Cu]3(Oc4c(C=[N]3[C@@H]3O[C@H]6[C@@H](O[C@@H](OC6)C)[C@H](O5)[C@@H]23)cccc4C(C)(C)C)([OH]C)[NH2]CC)=Cc2c(O1)c(ccc2)C(C)(C)C)([OH]C)[NH2]CC.ClC(Cl)Cl.OC.OC |
Title of publication | Amine mediated proton transfer reaction and C-Cl bond activation of solvent chloroform by a trinuclear copper(II) complex of a glucopyranosylamine derived ligand. |
Authors of publication | Sah, Ajay K.; Tanase, Tomoaki |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 31 |
Pages of publication | 3742 - 3751 |
a | 8.0925 ± 0.0005 Å |
b | 12.2513 ± 0.0011 Å |
c | 14.9817 ± 0.0011 Å |
α | 91.958 ± 0.004° |
β | 98.528 ± 0.003° |
γ | 96.609 ± 0.004° |
Cell volume | 1457.17 ± 0.19 Å3 |
Cell temperature | 153.1 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for all reflections included in the refinement | 0.107 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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