Information card for entry 4320462

Structure parameters

• Formula: C28 H24 Cr I N6 S2
• Calculated formula: C28 H24 Cr I N6 S2
• Title of publication: Interaction of I- and I3- with a Redox-Stable Cr(III)-Based Structural Surrogate for Photo-Oxidized "N3 Dye"
• Authors of publication: Brian J. Walter; C. Michael Elliott
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5924 - 5927
• a: 9.144 ± 0.005 Å
• b: 12.124 ± 0.006 Å
• c: 14.912 ± 0.008 Å
• α: 83.308 ± 0.011°
• β: 75.719 ± 0.01°
• γ: 80.457 ± 0.011°
• Cell volume: 1575 ± 1.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.1416
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.2171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No