Information card for entry 7014427

Structure parameters

• Formula: C18 H49 K3 N12 Ni3 O17
• Calculated formula: C18 H45 K3 N12 Ni3 O17
• Title of publication: Metallacrowns of Ni(ii) with α-aminohydroxamic acids in aqueous solution: beyond a 12-MC-4, an unexpected (vacant?) 15-MC-5
• Authors of publication: Bacco, Dimitri; Bertolasi, Valerio; Dallavalle, Francesco; Galliera, Lorenzo; Marchetti, Nicola; Marchiò, Luciano; Remelli, Maurizio; Tegoni, Matteo
• Journal of publication: Dalton Transactions
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 2491
• a: 9.6236 ± 0.0002 Å
• b: 9.6236 ± 0.0002 Å
• c: 35.6392 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2858.47 ± 0.11 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No