Information card for entry 4328300

Structure parameters

• Formula: C27 H39 Cu Dy N13 O17 P
• 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 ų
• 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