Information card for entry 7711272

Structure parameters

• Formula: C68 H104 Cl Cu12 F6 O12 P7 S12
• Calculated formula: C68 H104 Cl Cu12 F6 O12 P7 S12
• Title of publication: Synthesis, Structural Studies, and Photophysical Properties of Heteroleptic Inverse-Coordination Clusters
• Authors of publication: Huang, Guan-Rong; Brocha Silalahi, Rhone P.; Liao, Jian-Hong; Chiu, Tzu-Hao; Liu, Chen-Wei
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 18.626 ± 0.002 Å
• b: 23.462 ± 0.003 Å
• c: 22.637 ± 0.003 Å
• α: 90°
• β: 90.394 ± 0.003°
• γ: 90°
• Cell volume: 9892 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No