Information card for entry 1564091

Structure parameters

• Formula: C127.5 H115 B2 Cl3 Fe N2 O6 P6
• Calculated formula: C127.5 H115 B2 Cl3 Fe N2 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: 20.8796 ± 0.0007 Å
• b: 18.2086 ± 0.0006 Å
• c: 28.8297 ± 0.0009 Å
• α: 90°
• β: 90.896 ± 0.003°
• γ: 90°
• Cell volume: 10959.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No