Information card for entry 7248384

Structure parameters

• Formula: C83 H62 K2 Mn2 N12 O20
• Calculated formula: C83 H62 K2 Mn2 N12 O20
• Title of publication: Nitro group and K+ based secondary building unit for the self-assembly of 3D coordination polymers built on dinuclear dianionic helicate connectors
• Authors of publication: Mendoza-Baez, Raul; Molina-Renteria, Alan; Olguín, Juan
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 16.08 ± 0.003 Å
• b: 14.472 ± 0.003 Å
• c: 37.326 ± 0.008 Å
• α: 90°
• β: 100.611 ± 0.008°
• γ: 90°
• Cell volume: 8538 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1797
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No