Information card for entry 7709236

Structure parameters

• Formula: C41.5 H49.5 Ba N2 Ni3 O28
• Calculated formula: C39.5 H41.5 Ba N2 Ni3 O26
• Title of publication: Self-assembly of non-macrocyclic triangular Ni₃Ln clusters.
• Authors of publication: Dais, Tyson N.; Takano, Rina; Ishida, Takayuki; Plieger, Paul G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 1446 - 1453
• a: 11.0862 ± 0.0006 Å
• b: 15.529 ± 0.0009 Å
• c: 16.8872 ± 0.0009 Å
• α: 115.311 ± 0.004°
• β: 101.491 ± 0.004°
• γ: 97.235 ± 0.004°
• Cell volume: 2501.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0926
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No