Information card for entry 7048399

Structure parameters

• Common name: [Ni4]
• Formula: C60 H72 N6 Ni4 O19
• Calculated formula: C60 H72 N6 Ni4 O19
• Title of publication: Crowding out: ligand modifications and their structure directing effects on brucite-like {M_x(μ₃-OH)_y} (M = Co(ii), Ni(ii)) core growth within polymetallic cages.
• Authors of publication: Slater-Parry, Mari E; Durrant, James P.; Howells, Joshua M.; Pitak, Mateusz B.; Horton, Peter N.; Klooster, Wim T.; Coles, Simon J.; O'Connor, Helen M; Brechin, Euan K.; Barra, Anne-Laure; Jones, Leigh F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 1477 - 1488
• a: 9.0156 ± 0.0002 Å
• b: 12.5137 ± 0.0002 Å
• c: 14.5497 ± 0.0002 Å
• α: 93.129 ± 0.001°
• β: 105.662 ± 0.002°
• γ: 105.28 ± 0.002°
• Cell volume: 1510.62 ± 0.05 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0411
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No