Information card for entry 7228368

Structure parameters

• Formula: C64 H68 Ag2 Cl2 Hg2 N16 O12 S4
• Calculated formula: C64 H68 Ag2 Cl2 Hg2 N16 O12 S4
• Title of publication: A Structural Study of Dithizone Coordination Chemistry
• Authors of publication: Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 11.7453 ± 0.0004 Å
• b: 12.3139 ± 0.0004 Å
• c: 14.0203 ± 0.0004 Å
• α: 100.819 ± 0.001°
• β: 98.42 ± 0.001°
• γ: 107.765 ± 0.001°
• Cell volume: 1851.22 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No