Information card for entry 7047573

Structure parameters

• Formula: C109 H128 Cl2 N12 Ni6 O27 Zn
• Calculated formula: C108 H124 Cl2 N12 Ni5.9998 O25.9998 Zn1.0002
• Title of publication: Wheel-type heterometallic ferromagnetic clusters: [Ni_7-xM_x(HL)₆(μ₃-OMe)₄(μ₃-OH)₂]Cl₂ (M = Zn, Co, Mn; x = 1, 3).
• Authors of publication: Kobayashi, Fumiya; Ohtani, Ryo; Kusumoto, Sotaro; Lindoy, Leonard F.; Hayami, Shinya; Nakamura, Masaaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 46
• Pages of publication: 16422 - 16428
• a: 22.6686 ± 0.0017 Å
• b: 22.6686 ± 0.0017 Å
• c: 22.6686 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11648.6 ± 1.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1378
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.2507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No