Information card for entry 7717805

Structure parameters

• Formula: C12 H14 Hg I2 N4 O2
• Calculated formula: C12 H14 Hg I2 N4 O2
• Title of publication: Controlling pseudopolymorphism <i>via</i> robust and repetitive solvent-containing supramolecular interactions in urea-based isostructural coordination polymers.
• Authors of publication: Khorshidi, Ghazale; Notash, Behrouz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 3759 - 3773
• a: 9.1437 ± 0.0018 Å
• b: 10.043 ± 0.002 Å
• c: 19.926 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1829.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1596
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No