Information card for entry 4328302

Structure parameters

• Formula: C46 H42 Cu N12 O17 P3 Tb
• Calculated formula: C46 H42 Cu N12 O17 P3 Tb
• SMILES: [Tb]123456([O]7[Cu]89([O]2c2c(C=[N]9N(P9(=NP%10(Oc%11ccccc%11c%11ccccc%11O%10)=NP%10(Oc%11ccccc%11c%11ccccc%11O%10)=N9)N([N]8=Cc8cccc([O]1C)c78)C)C)cccc2[O]3C)[N]#CC)(ON(=[O]4)=O)(ON(=[O]5)=O)[O]=N(=O)O6.N#CC
• 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: 22.76 ± 0.006 Å
• b: 11.351 ± 0.003 Å
• c: 20.303 ± 0.006 Å
• α: 90°
• β: 90.033 ± 0.005°
• γ: 90°
• Cell volume: 5245 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No