Information card for entry 4132427

Structure parameters

• Formula: C72 H72 Cr2 F12 Fe2 N28 O10 P2
• Calculated formula: C72 H68 Cr2 F12 Fe2 N28 O10 P2
• Title of publication: Cyano-Bridged Fe(II)-Cr(III) Single-Chain Magnet Based on Pentagonal Bipyramid Units: On the Added Value of Aligned Axial Anisotropy.
• Authors of publication: Pichon, Céline; Suaud, Nicolas; Duhayon, Carine; Guihéry, Nathalie; Sutter, Jean-Pascal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 24
• Pages of publication: 7698 - 7704
• a: 16.3144 ± 0.0013 Å
• b: 17.0403 ± 0.0013 Å
• c: 18.0957 ± 0.0014 Å
• α: 105.937 ± 0.002°
• β: 90.656 ± 0.003°
• γ: 111.646 ± 0.002°
• Cell volume: 4460.3 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1293
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections: 0.1072
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1351
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No