Information card for entry 2241618

Structure parameters

• Chemical name: Bis[μ~2~-9,10-bis(oxidoimino)phenanthrene]bis[μ~2~-10-(oxidoimino)phenanthrene-9-one oxime](phenanthrene-9,10-dione dioxime)trinickel(II) toluene disolvate
• Formula: C84 H60 N10 Ni3 O10
• Calculated formula: C84 H60 N10 Ni3 O10
• Title of publication: Trinuclear nickel coordination complexes of phenanthrene-9,10-dione dioxime
• Authors of publication: Williams, Owen M.; Cowley, Alan H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 538 - 542
• a: 15.973 ± 0.003 Å
• b: 18.639 ± 0.003 Å
• c: 22.785 ± 0.004 Å
• α: 90°
• β: 101.757 ± 0.004°
• γ: 90°
• Cell volume: 6641 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0746
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes