Information card for entry 7706131

Structure parameters

• Formula: C82 H136 Fe9 N48 O34 Re5 W
• Calculated formula: C82 H96 Fe9 N48 O34 Re4.9998 W1.0002
• 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: 28.6009 ± 0.001 Å
• b: 19.1656 ± 0.0006 Å
• c: 32.2296 ± 0.0011 Å
• α: 90°
• β: 113.648 ± 0.001°
• γ: 90°
• Cell volume: 16183.2 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0645
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No