Information card for entry 1567558

Structure parameters

• Formula: C60 H78 N8 O24 Zn7
• Calculated formula: C60 H78 N8 O24 Zn7
• SMILES: N(=O)(=O)[O-].[Zn]12345[O]6(C)[Zn]789%10[N](C)=Cc%11cccc%12c%11[O]7[Zn]7%11([O]%12C)([O]5%10C)[O]5c%10c(cccc%10C=[N]7C)[O](C)[Zn]57%10([O]1%11C)[N](C)=Cc1cccc5c1[O]7[Zn]17([O]5C)([O]3%10C)[O]3c5c(cccc5C=[N]1C)[O](C)[Zn]153([O]27C)[N](C)=Cc2cccc3c2[O]1[Zn]61([O]8c2c(cccc2C=[N]1C)[O]9C)([O]3C)[O]45C.N(=O)(=O)[O-]
• Title of publication: The sequential structural transformation of a heptanuclear zinc cluster towards hierarchical porous carbon for supercapacitor applications
• Authors of publication: Li, Tian; Wang, Yi-Fan; Yin, Zheng; Li, Jian; Peng, Xu; Zeng, Ming-Hua
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 14.068 ± 0.0002 Å
• b: 14.068 ± 0.0002 Å
• c: 23.3614 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4004 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No