Information card for entry 7711277

Structure parameters

• Formula: C68 H104 Ag12 Br F6 O12 P7 S12
• Calculated formula: C68 H104 Ag12 Br 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: 21.4279 ± 0.0007 Å
• b: 22.7192 ± 0.0008 Å
• c: 23.7146 ± 0.0007 Å
• α: 99.8543 ± 0.0007°
• β: 90.3872 ± 0.0007°
• γ: 116.284 ± 0.0007°
• Cell volume: 10153.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No