Information card for entry 7134332

Structure parameters

• Formula: C21 H21 N5 O7 Se Zn
• Calculated formula: C21 H21 N5 O7 Se Zn
• Title of publication: Chalcogen bonded metal–organic frameworks: insights from X-ray analysis and theoretical calculations
• Authors of publication: Aliyeva, Vusala A.; André, Vânia; Martins, Luísa M. D. R. S.; Gurbanov, Atash V.; Gomila, Rosa M.; Frontera, Antonio; Cruz, Tiago F. C.; Mahmudov, Kamran T.
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 32
• Pages of publication: 5962 - 5965
• a: 10.0822 ± 0.0007 Å
• b: 10.1131 ± 0.0007 Å
• c: 11.3662 ± 0.0007 Å
• α: 95.063 ± 0.002°
• β: 92.398 ± 0.002°
• γ: 98.918 ± 0.003°
• Cell volume: 1138.63 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1039
• 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: No
• Has Fobs: No