Information card for entry 4339680

Structure parameters

• Formula: C47 H34 Cl4 Hg N6 O8 P4
• Calculated formula: C47 H34 Cl4 Hg N6 O8 P4
• SMILES: [Hg]1(Cl)(Cl)[n]2c(OP3(=NP4(=NP5(=NP6(=N3)Oc3ccccc3c3ccccc3O6)Oc3ccccc3c3ccccc3O5)Oc3ccccc3c3ccccc3O4)Oc3cccc[n]13)cccc2.C(Cl)Cl
• Title of publication: Conformationally rigid chelate rings in metal complexes of pyridyloxy-substituted 2,2'-dioxybiphenyl-cyclotetra- and cyclotriphosphazene platforms.
• Authors of publication: Ainscough, Eric W.; Brodie, Andrew M.; Derwahl, Andreas; Kirk, Steve; Otter, Carl A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9841 - 9852
• a: 12.2715 ± 0.0001 Å
• b: 19.547 ± 0.0002 Å
• c: 20.5278 ± 0.0001 Å
• α: 90°
• β: 90.194 ± 0.001°
• γ: 90°
• Cell volume: 4924 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0277
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No