Information card for entry 7706744

Structure parameters

• Formula: C22 H24 Cu5 N9 S3
• Calculated formula: C22 H24 Cu5 N9 S3
• Title of publication: Four new Cu₆S₆ cluster-based coordination compounds: synthesis, crystal structures and fluorescence properties.
• Authors of publication: Zhou, Rui-Sha; Zhang, Xiao-Yu; Fu, Jin; Xin, Li-Dong; Jiao, Wei-Zhou; Song, Jiang-Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 13
• Pages of publication: 4567 - 4576
• a: 12.5044 ± 0.0008 Å
• b: 17.1384 ± 0.0011 Å
• c: 15.242 ± 0.001 Å
• α: 90°
• β: 99.776 ± 0.002°
• γ: 90°
• Cell volume: 3219 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No