Information card for entry 7129744

Structure parameters

• Formula: C98 H87 Cu6 I6 N13 O2
• Calculated formula: C98 H87 Cu6 I6 N13 O2
• Title of publication: Binuclear copper iodine cluster-based coordination sheets as photocatalysts for decarboxylative cyanation.
• Authors of publication: Zhong, Bingwen; Huang, Huilin; Jing, Xu; Duan, Chunying
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 24
• Pages of publication: 3961 - 3964
• a: 13.3961 ± 0.0009 Å
• b: 15.0316 ± 0.0009 Å
• c: 33.541 ± 0.002 Å
• α: 91.323 ± 0.002°
• β: 97.137 ± 0.003°
• γ: 114.728 ± 0.002°
• Cell volume: 6066 ± 0.7 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No