Information card for entry 1564094

Structure parameters

• Formula: C86 H84 B2 Cu F8 N6 O6 P6
• Calculated formula: C86 H84 B2 Cu F8 N6 O6 P6
• Title of publication: Synthesis and crystallographic characterisation of a homologous series of bis-tridentate phosphine oxide NP3O3 Fe(II), Co(II), Ni(II) and Cu(II) complexes
• Authors of publication: Page, Samuel J.; Rogers-Simmonds, Daisy; White, Andrew J.P.; Miller, Philip W.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 512
• Pages of publication: 119870
• a: 12.3925 ± 0.0009 Å
• b: 13.0398 ± 0.001 Å
• c: 13.8009 ± 0.001 Å
• α: 72.638 ± 0.007°
• β: 89.866 ± 0.006°
• γ: 79.572 ± 0.006°
• Cell volume: 2090.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1051
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No