Information card for entry 4315636

Structure parameters

• Formula: C44 H104 Cr2 I6 O5 P8
• Calculated formula: C24 H58 Cr2 I5.992 P8
• 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: 11.312 ± 0.002 Å
• b: 11.334 ± 0.002 Å
• c: 12.269 ± 0.002 Å
• α: 82.211 ± 0.002°
• β: 82.242 ± 0.002°
• γ: 66.014 ± 0.002°
• Cell volume: 1418.4 ± 0.4 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1468
• Residual factor for significantly intense reflections: 0.1427
• Weighted residual factors for significantly intense reflections: 0.4131
• Weighted residual factors for all reflections included in the refinement: 0.4154
• Goodness-of-fit parameter for all reflections included in the refinement: 3.805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No