Information card for entry 4315635

Structure parameters

• Formula: C13 H26 Cr I N P4
• Calculated formula: C13 H26 Cr I N P4
• 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: 8.5539 ± 0.0017 Å
• b: 13.365 ± 0.003 Å
• c: 9.5587 ± 0.0019 Å
• α: 90°
• β: 95.401 ± 0.004°
• γ: 90°
• Cell volume: 1087.9 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No