Information card for entry 4315632

Structure parameters

• Formula: C13 H36 Br3 Cr O P4
• Calculated formula: C12 H32 Br3 Cr P4
• SMILES: C1[P](C)([Cr]2(Br)([P](C1)(C)C)([P](CC[P]2(C)C)(C)C)Br)C.[Br-]
• 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: 9.148 ± 0.007 Å
• b: 13.323 ± 0.011 Å
• c: 21.42 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2611 ± 4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No