Information card for entry 4315634

Structure parameters

• Formula: C18 H38 Cr I2 P4
• Calculated formula: C18 H38 Cr I2 P4
• SMILES: I[Cr]12(I)([P](CC[P]2(C)C)(C)C)[P](CC[P]1(C)C)(C)C.c1ccccc1
• Title of publication: Enhancing the Magnetic Anisotropy of Cyano-Ligated Chromium(II) and Chromium(III) Complexes via Heavy Halide Ligand Effects
• Authors of publication: Hemamala I. Karunadasa; Kristine D. Arquero; Louise A. Berben; Jeffrey R. Long
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4738 - 4740
• a: 8.3955 ± 0.0012 Å
• b: 12.5426 ± 0.0018 Å
• c: 12.6346 ± 0.0018 Å
• α: 90°
• β: 94.806 ± 0.002°
• γ: 90°
• Cell volume: 1325.8 ± 0.3 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 2 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: 0.0613
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No