Information card for entry 7709583

Structure parameters

• Formula: C140 H227 K3 Mg3 N12 O7
• Calculated formula: C140 H218 K3 Mg3 N12 O7
• Title of publication: Assembly of metallo-macrocycles through reductive C–C coupling of alkylnitriles by an Mg–Mg-bonded compound
• Authors of publication: Xue, Yujie; Wang, Jijiang; Shi, Yalei; Xu, Wenhua; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 14.1 ± 0.03 Å
• b: 17.32 ± 0.03 Å
• c: 34.45 ± 0.06 Å
• α: 95.42 ± 0.04°
• β: 97.06 ± 0.04°
• γ: 108.92 ± 0.04°
• Cell volume: 7817 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1964
• Residual factor for significantly intense reflections: 0.1148
• Weighted residual factors for significantly intense reflections: 0.2297
• Weighted residual factors for all reflections included in the refinement: 0.2609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No