Information card for entry 7248901

Structure parameters

• Formula: C26 H40 Hg I2 N6 O6 S4
• Calculated formula: C26 H40 Hg I2 N6 O6 S4
• Title of publication: Reversible anion-dependent iodine uptake in nonporous pseudopolymorphic coordination polymers
• Authors of publication: Khorshidi, Ghazaleh; Notash, Behrouz; Kubicki, Maciej
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 5.55696 ± 0.00009 Å
• b: 33.2718 ± 0.0006 Å
• c: 22.0194 ± 0.0005 Å
• α: 90°
• β: 94.9947 ± 0.0015°
• γ: 90°
• Cell volume: 4055.71 ± 0.14 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No