Information card for entry 4328297

Structure parameters

• Formula: C63 H62 N7 O10 P3
• Calculated formula: C63 H62 N7 O10 P3
• SMILES: c12ccccc1c1ccccc1OP1(=NP(=NP3(=N1)Oc1ccccc1c1ccccc1O3)(N(C)/N=C/c1cccc(c1O)OC)N(C)/N=C/c1cccc(c1O)OC)O2.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.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: 12.016 ± 0.004 Å
• b: 16.687 ± 0.006 Å
• c: 17.234 ± 0.006 Å
• α: 111.156 ± 0.006°
• β: 105.857 ± 0.007°
• γ: 97.961 ± 0.008°
• Cell volume: 2989.8 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1356
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.2535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No