Information card for entry 7027393

Structure parameters

• Formula: C35 H20 Br12 Cr O6 S8
• Calculated formula: C35 Br12 Cr O6 S8
• Title of publication: Synthesis, X-ray crystal structures and properties of chromium complexes with semiquinonate and catecholate
• Authors of publication: Chang, Ho-Chol; Ishii, Tomohiko; Kondo, Mitsuru; Kitagawa, Susumu
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2467
• a: 14.303 ± 0.002 Å
• b: 15.084 ± 0.003 Å
• c: 12.907 ± 0.005 Å
• α: 109.62 ± 0.02°
• β: 99.31 ± 0.02°
• γ: 91.86 ± 0.02°
• Cell volume: 2577.1 ± 1.2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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: 0.0632
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 2.239
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No