Information card for entry 7214776

Structure parameters

• Formula: C26 H26 Cl2 Hg N6 O4
• Calculated formula: C26 H26 Cl2 Hg N6 O4
• Title of publication: Influence of ligand substituent on structural assembly and coordination geometry
• Authors of publication: Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 7236
• a: 14.662 ± 0.003 Å
• b: 28.36 ± 0.006 Å
• c: 14.515 ± 0.003 Å
• α: 90°
• β: 114.78 ± 0.03°
• γ: 90°
• Cell volume: 5480 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0719
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No