Information card for entry 7027435

Structure parameters

• Formula: C36 H49 B2 Cu F10 Fe N6 O5
• Calculated formula: C36 H43 B2 Cu F10 Fe N6 O6
• Title of publication: Synthesis and characterization of dinuclear complexes containing the FeIII‒F · · · (H2O)MII motif
• Authors of publication: Ghiladi, Morten; Jensen, Kenneth B.; Jiang, Jianzhong; McKenzie, Christine J.; Mørup, Steen; Søtofte, Inger; Ulstrup, Jens
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 2675
• a: 17.9414 ± 0.0008 Å
• b: 13.6413 ± 0.0006 Å
• c: 18.8617 ± 0.0009 Å
• α: 90°
• β: 112.26 ± 0.001°
• γ: 90°
• Cell volume: 4272.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections: 0.1481
• Weighted residual factors for significantly intense reflections: 0.1228
• Goodness-of-fit parameter for all reflections: 1.099
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No