Information card for entry 4122456

Structure parameters

• Common name: Gd13Fe10C12.02O0.98
• Formula: C12.02 Fe10 Gd13 O0.98
• Calculated formula: C12.02 Fe10 Gd13 O0.98
• Title of publication: π-Conjugation in Gd13Fe10C13 and Its Oxycarbide: Unexpected Connections between Complex Carbides and Simple Organic Molecules.
• Authors of publication: Hadler, Amelia B.; Yannello, Vincent J.; Bi, Wenli; Alp, E. Ercan; Fredrickson, Daniel C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 34
• Pages of publication: 12073
• a: 9.2299 ± 0.0005 Å
• b: 16.0158 ± 0.0008 Å
• c: 31.6935 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4685.1 ± 0.4 ų
• Cell temperature: 295.5 ± 0.3 K
• Ambient diffraction temperature: 295.5 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F 2 d d
• Hall space group symbol: F -2d 2
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No