Information card for entry 4513230

Structure parameters

• Formula: C10 H10 F6 Fe P
• Calculated formula: C10 H10 F6 Fe P
• 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: 13.342 ± 0.002 Å
• b: 9.2108 ± 0.0015 Å
• c: 9.2723 ± 0.0016 Å
• α: 90°
• β: 96.812 ± 0.004°
• γ: 90°
• Cell volume: 1131.4 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9733
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No