Information card for entry 1519473

Structure parameters

• Formula: C56 H40 Cr N6 S36
• Calculated formula: C56 H40 Cr N6 S36
• Title of publication: C56H40CrN6S36
• Authors of publication: Turner, Scott S.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2002
• Pages of publication: 927
• a: 10.9353 ± 0.0003 Å
• b: 11.1412 ± 0.0002 Å
• c: 15.526 ± 0.0004 Å
• α: 81.631 ± 0.001°
• β: 82.691 ± 0.001°
• γ: 86.12 ± 0.001°
• Cell volume: 1853.89 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No