Information card for entry 4350094

Structure parameters

• Formula: C172 H252 Cu11.5 N100 Ni1.5 O W8
• Calculated formula: C172 H252 Cu11.5 N100 Ni1.5 O W8
• Title of publication: A heterotrimetallic synthetic approach in versatile functionalization of nanosized {MxCu13‒xW7}3+ and {M1Cu8W6} (M = Co, Ni, Mn, Fe) metal‒cyanide magnetic clusters
• Authors of publication: Liberka, Michal; Kobylarczyk, Jedrzej; Muziol, Tadeusz M.; Ohkoshi, Shin-ichi; Chorazy, Szymon; Podgajny, Robert
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 3104
• a: 32.3884 ± 0.0003 Å
• b: 29.3119 ± 0.0005 Å
• c: 16.0224 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15211.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2964
• Weighted residual factors for all reflections included in the refinement: 0.308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.77538 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No