Information card for entry 4315629

Structure parameters

• Formula: C33 H40 Cl2 Cr I Mn N3 O15 P4
• Calculated formula: C33 H40 Cl2 Cr I Mn N3 O15 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: 23.614 ± 0.005 Å
• b: 16.524 ± 0.004 Å
• c: 25.317 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9879 ± 4 ų
• Cell temperature: 157 ± 2 K
• Ambient diffraction temperature: 157 ± 2 K
• Number of distinct elements: 9
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No