Information card for entry 7226150

Structure parameters

• Formula: C15 H10 Cl Hg I2 N3 O
• Calculated formula: C15 H10 Cl Hg I2 N3 O
• SMILES: c1c[n](cc(C(=O)Nc2ccc(c3ccccc23)Cl)n1)[Hg](I)I
• Title of publication: π-Stacking synthon repetitivity in coordination compounds
• Authors of publication: Khavasi, Hamid Reza; Kavand, Sima
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 25
• Pages of publication: 4760
• a: 8.5716 ± 0.0007 Å
• b: 9.8507 ± 0.0009 Å
• c: 11.6901 ± 0.001 Å
• α: 103.615 ± 0.007°
• β: 103.475 ± 0.007°
• γ: 102.305 ± 0.007°
• Cell volume: 894.64 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.2029
• 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