Information card for entry 4328341

Structure parameters

• Formula: C36 H54 B3 F6 Fe4 N18 O12
• Calculated formula: C36 H54 B3 F6 Fe4 N18 O12
• Title of publication: Fe4 Cluster and a Buckled Macrocycle Complex from the Reduction of [(dmgBF2)2Fe(L)2] (L = MeCN,tBuiNC)
• Authors of publication: Michael J. Rose; Jay R. Winkler; Harry B. Gray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1980 - 1982
• a: 35.6736 ± 0.0007 Å
• b: 35.6736 ± 0.0007 Å
• c: 32.516 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 35836.2 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1438
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 3.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No