Information card for entry 7111015

Structure parameters

• Formula: C32 H28 Fe0 N4 Ni2 O5
• Calculated formula: C32 H28 N4 Ni2 O5
• SMILES: [Ni]123(Oc4c(C=[N]3CC[N]2=Cc2c(O1)cccc2)cccc4)O[Ni]123Oc4ccccc4C=[N]2CC[N]3=Cc2ccccc2O1
• Title of publication: The first thermally-stable singly oxo-bridged dinuclear Ni(iii) complex
• Authors of publication: Bag, Bappaditya; Mondal, Nijhuma; Mitra, Samiran; Rosair, Georgina
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 18
• Pages of publication: 1729
• a: 10.737 ± 0.001 Å
• b: 10.837 ± 0.001 Å
• c: 13.762 ± 0.001 Å
• α: 67.04 ± 0.01°
• β: 85.71 ± 0.01°
• γ: 73.11 ± 0.01°
• Cell volume: 1409.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No