Information card for entry 7236645

Structure parameters

• Formula: C24 H38 Cl Cu4 Hg0.5 N4 O15 S4
• Calculated formula: C24 H32 Cl Cu4 Hg0.5 N4 O15 S4
• Title of publication: Fine-tuning of the confined space in microporous metal‒organic frameworks for efficient mercury removal
• Authors of publication: Mon, Marta; Qu, Xiaoni; Ferrando-Soria, Jesús; Pellicer-Carreño, Isaac; Sepúlveda-Escribano, Antonio; Ramos-Fernandez, Enrique V.; Jansen, Johannes C.; Armentano, Donatella; Pardo, Emilio
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 38
• Pages of publication: 20120
• a: 13.0954 ± 0.0015 Å
• b: 13.0954 ± 0.0015 Å
• c: 11.5653 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1983.3 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 77
• Hermann-Mauguin space group symbol: P 42
• Hall space group symbol: P 4c
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.2617
• Weighted residual factors for all reflections included in the refinement: 0.2708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No