Information card for entry 4328298

Structure parameters

• Formula: C25 H33 Ca Cl3 Cu N11 O13 P
• 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 ų
• 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