Information card for entry 7030014

Structure parameters

• Formula: C46 H48 N6 Ni2 O11
• Calculated formula: C46 H48 N6 Ni2 O11
• Title of publication: Triple-bridged ferromagnetic nickel(ii) complexes: A combined experimental and theoretical DFT study on stabilization and magnetic coupling.
• Authors of publication: Biswas, Rituparna; Diaz, Carmen; Bauzá, Antonio; Barceló-Oliver, Miquel; Frontera, Antonio; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 6455 - 6467
• a: 12.194 ± 0.005 Å
• b: 12.681 ± 0.005 Å
• c: 14.833 ± 0.005 Å
• α: 99.696 ± 0.005°
• β: 97.42 ± 0.005°
• γ: 91.907 ± 0.005°
• Cell volume: 2238.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No