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Information card for entry 4328298
Preview
Coordinates | 4328298.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H33 Ca Cl3 Cu N11 O13 P |
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Calculated formula | C25 H33 Ca Cl3 Cu N11 O13 P |
SMILES | [Cu]123[O]4[Ca]567([O]1c1c(C=[N]3N(P3(=NC(=NC(=N3)N(C)C)N(C)C)N([N]2=Cc2cccc(c24)[O]7C)C)C)cccc1[O]6C)([O]=N(=O)O5)([OH2])[OH2].ClC(Cl)Cl.O=N(=O)[O-].O |
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 | 10.522 ± 0.005 Å |
b | 10.634 ± 0.005 Å |
c | 18.997 ± 0.005 Å |
α | 86.717 ± 0.005° |
β | 75.984 ± 0.005° |
γ | 72.967 ± 0.005° |
Cell volume | 1971.6 ± 1.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1277 |
Residual factor for significantly intense reflections | 0.095 |
Weighted residual factors for significantly intense reflections | 0.2592 |
Weighted residual factors for all reflections included in the refinement | 0.3258 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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