Information card for entry 4513225

Structure parameters

• Formula: C10 H10 B F4 Fe
• Calculated formula: C10 H10 B F4 Fe
• SMILES: [cH]12[cH]3[Fe]4567892([cH]1[cH]4[cH]37)[cH]1[cH]6[cH]5[cH]8[cH]91.[B](F)(F)(F)[F-]
• Title of publication: Experimental Establishment of Mother‒Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter
• Authors of publication: Posner, Shai R.; Lorson, Logan C.; Gell, Aaron R.; Foxman, Bruce M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 3407
• a: 7.4665 ± 0.0004 Å
• b: 11.9467 ± 0.0005 Å
• c: 12.0974 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1079.09 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 66
• Hermann-Mauguin space group symbol: C c c m
• Hall space group symbol: -C 2 2c
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0413
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No