Information card for entry 7247103

Structure parameters

• Formula: C60 H156 Cl20 Cu12 N120 O100
• Calculated formula: C60 H156 Cl20 Cu12 N120 O100
• Title of publication: Cupric coordination compounds with multiple anions: a promising strategy for the regulation of energetic materials
• Authors of publication: Xia, Liang-hong; Wang, Yan-na; Yang, Xiao-ming; Liang, Lin-na; Li, Zhi-min; Zhang, Tong-lai
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 32
• Pages of publication: 22549 - 22558
• a: 22.1106 ± 0.001 Å
• b: 14.1198 ± 0.0007 Å
• c: 14.6843 ± 0.0006 Å
• α: 90°
• β: 94.725 ± 0.001°
• γ: 90°
• Cell volume: 4568.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No