Information card for entry 7706141

Structure parameters

• Formula: C87 H156 Fe9 N48 O39 Re W5
• Calculated formula: C87 H96 Fe9 N48 O39 Re1.0002 W4.9998
• 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: 28.7447 ± 0.0009 Å
• b: 19.4568 ± 0.0006 Å
• c: 32.6354 ± 0.0014 Å
• α: 90°
• β: 113.453 ± 0.001°
• γ: 90°
• Cell volume: 16744.4 ± 1 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: 0.0552
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No