Information card for entry 4339677

Structure parameters

• Formula: C37 H34 Br2 Cl2 Cu N7 O6 P3
• Calculated formula: C37 H34 Br2 Cl2 Cu N7 O6 P3
• SMILES: [Cu]12(Br)(Br)[N]3=P(N=P4(N=P3(Oc3[n]2ccc(c3)C)Oc2nccc(c2)C)Oc2c(cccc2)c2c(O4)cccc2)(Oc2[n]1ccc(c2)C)Oc1nccc(c1)C.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: 12.9284 ± 0.0002 Å
• b: 10.4443 ± 0.0002 Å
• c: 31.9761 ± 0.0004 Å
• α: 90°
• β: 94.128 ± 0.001°
• γ: 90°
• Cell volume: 4306.47 ± 0.12 ų
• Cell temperature: 357 ± 2 K
• Ambient diffraction temperature: 84 ± 2 K
• Number of distinct elements: 8
• 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: 0.0892
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No