Information card for entry 1549650

Structure parameters

• Formula: C85 H102 Cl0.7 Cu12.3 F30 N6 O P S12
• Calculated formula: C85 H102 Cl0.7 Cu12.3 F30 N6 O P S12
• Title of publication: Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.
• Authors of publication: Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 33
• Pages of publication: 6785 - 6795
• a: 21.8103 ± 0.0005 Å
• b: 22.977 ± 0.0006 Å
• c: 22.0395 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11044.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No