Information card for entry 7056113

Structure parameters

• Formula: C92 H72 Ag2 F12 N8 O8 P2
• Calculated formula: C92 H72 Ag2 F12 N8 O8 P2
• Title of publication: Macrometallocycle binuclear NHC silver(I) complexes: synthesis, structure and recognition for o-phenylenediamine
• Authors of publication: Liu, Qingxiang; Wei, Deng-Che; Zhao, Dong-Xue; Sun, Xiao-Feng; Zhao, Zhi-Xiang; Yan, Jing
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 12
• Pages of publication: 4843 - 4852
• a: 15.1732 ± 0.0011 Å
• b: 15.568 ± 0.0011 Å
• c: 22.2494 ± 0.0016 Å
• α: 78.053 ± 0.001°
• β: 83.127 ± 0.001°
• γ: 62.745 ± 0.001°
• Cell volume: 4569.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2722
• Weighted residual factors for all reflections included in the refinement: 0.2908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No