Information card for entry 7706135

Structure parameters

• Formula: C84 H144 Fe9 N48 O36 Re2 W4
• Calculated formula: C84 H96 Fe9 N48 O36 Re1.9998 W4.0002
• Title of publication: Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.
• Authors of publication: Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 47
• Pages of publication: 17321 - 17330
• a: 28.842 ± 0.006 Å
• b: 19.362 ± 0.004 Å
• c: 32.652 ± 0.009 Å
• α: 90°
• β: 113.953 ± 0.007°
• γ: 90°
• Cell volume: 16664 ± 7 ų
• Cell temperature: 240 K
• Ambient diffraction temperature: 240 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No