Information card for entry 7048401

Structure parameters

• Common name: [Ni4-Br]
• Formula: C62 H65 Br4 N7 Ni4 O16
• Calculated formula: C62 H65 Br4 N7 Ni4 O16
• 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: 11.1808 ± 0.0005 Å
• b: 15.8405 ± 0.0005 Å
• c: 20.5877 ± 0.0005 Å
• α: 105.986 ± 0.002°
• β: 90.324 ± 0.003°
• γ: 105.805 ± 0.003°
• Cell volume: 3359.9 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0741
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No