Information card for entry 7706900

Structure parameters

• Formula: C117 H172 Cl4 N72 Ni8 O28.5
• Calculated formula: C108 H132 Cl4 N72 Ni8 O16.5
• Title of publication: Preparation of a magnetic metal-organic square and metal-organic cubes using 4,5-bis(2-imidazolinyl)imidazolate: slow magnetization relaxation behavior in mixed-valent octamanganese(ii/iii) clusters.
• Authors of publication: Kamebuchi, Hajime; Murakami, Hiroki; Shiga, Ryosuke; Tadokoro, Makoto
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 16
• Pages of publication: 5452 - 5464
• a: 14.6815 ± 0.0006 Å
• b: 17.6981 ± 0.0008 Å
• c: 17.8221 ± 0.0008 Å
• α: 111.082 ± 0.001°
• β: 98.566 ± 0.001°
• γ: 106.133 ± 0.001°
• Cell volume: 3987.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1263
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No