Information card for entry 4513226

Structure parameters

• Formula: C10 H10 B F4 Fe
• Calculated formula: C10 H10 B F4 Fe
• 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: 7.0121 ± 0.0002 Å
• b: 12.0018 ± 0.0004 Å
• c: 12.6356 ± 0.0005 Å
• α: 90°
• β: 94.0046 ± 0.0019°
• γ: 90°
• Cell volume: 1060.79 ± 0.06 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No