Information card for entry 1549648

Structure parameters

• Formula: C70 H120 Cu13 F6 N6 O8 P S12
• Calculated formula: C70 H120 Cu13 F6 N6 O8 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: 33.833 ± 0.003 Å
• b: 18.7022 ± 0.0013 Å
• c: 36.604 ± 0.004 Å
• α: 90°
• β: 111.908 ± 0.0015°
• γ: 90°
• Cell volume: 21489 ± 3 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: 0.2242
• Residual factor for significantly intense reflections: 0.1473
• Weighted residual factors for significantly intense reflections: 0.3014
• Weighted residual factors for all reflections included in the refinement: 0.3241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No