Information card for entry 7036822

Structure parameters

• Formula: C38 H32 F6 N2 Ni P4
• Calculated formula: C37.9976 H31.998 F6 N2 Ni P3.9996
• Title of publication: N-heterocyclic phosphenium and phosphido nickel complexes supported by a pincer ligand framework.
• Authors of publication: Evers-McGregor, Deirdra A; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 1918 - 1929
• a: 26.0844 ± 0.0007 Å
• b: 13.0789 ± 0.0004 Å
• c: 23.9074 ± 0.0007 Å
• α: 90°
• β: 121.573 ± 0.0011°
• γ: 90°
• Cell volume: 6948.8 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• 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: 0.052
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.1228
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No