Information card for entry 7228370

Structure parameters

• Formula: C106 H88 Cl6 Cu8 K2 N32 O8 S8
• Calculated formula: C106 H88 Cl6 Cu8 K2 N32 O8 S8
• 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: 31.5889 ± 0.0019 Å
• b: 15.6131 ± 0.0009 Å
• c: 28.325 ± 0.003 Å
• α: 90°
• β: 115.412 ± 0.001°
• γ: 90°
• Cell volume: 12618.3 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1343
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No