Information card for entry 7247978

Structure parameters

• Formula: C12 H9 Cl Hg I2 N2 O
• Calculated formula: C12 H9 Cl Hg I2 N2 O
• Title of publication: A strategy for obtaining isostructurality despite structural diversity in coordination compounds
• Authors of publication: Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 543 - 556
• a: 25.08 ± 0.006 Å
• b: 14.097 ± 0.004 Å
• c: 9.2 ± 0.002 Å
• α: 90°
• β: 100.394 ± 0.018°
• γ: 90°
• Cell volume: 3199.3 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0986
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No