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Information card for entry 4328300
Preview
Coordinates | 4328300.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H39 Cu Dy N13 O17 P |
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Calculated formula | C27 H39 Cu Dy N13 O17 P |
SMILES | C1(=N[P+]2(N=C(N1)N(C)C)N(C)[N]1=Cc3cccc4c3[O]3[Cu]51([O]1[Dy]6783(ON(=[O]7)=O)(ON(=[O]6)=O)(ON(=[O]8)=O)([O](c3cccc(C=[N]5N2C)c13)C)[O]4C)ON(=O)=O)N(C)C.CC(=O)C |
Title of publication | Cyclo- and Carbophosphazene-Supported Ligands for the Assembly of Heterometallic (Cu2+/Ca2+, Cu2+/Dy3+, Cu2+/Tb3+) Complexes: Synthesis, Structure, and Magnetism |
Authors of publication | Vadapalli Chandrasekhar; Tapas Senapati; Atanu Dey; Sourav Das; Marguerite Kalisz; Rodolphe Clérac |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 2031 - 2038 |
a | 18.242 ± 0.005 Å |
b | 10.576 ± 0.005 Å |
c | 20.575 ± 0.005 Å |
α | 90 ± 0.005° |
β | 102.603 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 3874 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0799 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.0964 |
Weighted residual factors for all reflections included in the refinement | 0.1305 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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