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Information card for entry 7012560
Preview
Coordinates | 7012560.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H42 Cl2 Cu2 N9 O10 P |
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Calculated formula | C31 H42 Cl2 Cu2 N9 O10 P |
SMILES | [Cu]1234[NH]5CC[N]2(CC[NH]1CC5)Cc1n3[n]2[Cu]35([N]6(Cc2c1)CC[NH]3CC[NH]5CC6)[O]=P(O4)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC |
Title of publication | Stability and structure of mono- and dinuclear Cu(ii), Ni(ii) and Zn(ii) complexes of pyrazole and triazole bridged bis-macrocyclesElectronic supplementary information (ESI) available: titration curves and species distribution curves. See http://www.rsc.org/suppdata/dt/b2/b212113a/ |
Authors of publication | Raidt, Michael; Neuburger, Markus; Kaden, Thomas A. |
Journal of publication | Dalton Transactions |
Year of publication | 2003 |
Journal issue | 7 |
Pages of publication | 1292 |
a | 9.7727 ± 0.0005 Å |
b | 14.2779 ± 0.0005 Å |
c | 14.573 ± 0.0006 Å |
α | 97.943 ± 0.003° |
β | 107.231 ± 0.004° |
γ | 98.56 ± 0.003° |
Cell volume | 1884.42 ± 0.15 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for all reflections included in the refinement | 0.051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0236 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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