Information card for entry 7030060

Structure parameters

• Formula: C58 H56 B2 F8 Fe N4 P4
• Calculated formula: C58 H56 B2 F8 Fe N4 P4
• Title of publication: Long range charge transfer in trimetallic mixed-valence iron complexes mediated by redox non-innocent cyanoacetylide ligands.
• Authors of publication: Gluyas, Josef B. G.; Boden, Andrew J.; Eaves, Samantha G.; Yu, Herrick; Low, Paul J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 6291 - 6294
• a: 16.8867 ± 0.0006 Å
• b: 15.6956 ± 0.0006 Å
• c: 21.8725 ± 0.0008 Å
• α: 90°
• β: 106.957 ± 0.002°
• γ: 90°
• Cell volume: 5545.2 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No