Information card for entry 7217091

Structure parameters

• Formula: C24 H18 Br2 Hg I2 N4 O2
• Calculated formula: C24 H18 Br2 Hg I2 N4 O2
• SMILES: c1cc[n](cc1C(=O)Nc1cc(Br)ccc1)[Hg](I)(I)[n]1cccc(c1)C(=O)Nc1cc(Br)ccc1
• Title of publication: Temperature-dependent halogen⋯halogen synthon crossover in coordination compounds
• Authors of publication: Khavasi, Hamid Reza; Esmaeili, Maryam
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 36
• Pages of publication: 8479
• a: 24.3489 ± 0.0018 Å
• b: 4.92 ± 0.0006 Å
• c: 28.395 ± 0.002 Å
• α: 90°
• β: 125.751 ± 0.004°
• γ: 90°
• Cell volume: 2760.6 ± 0.5 ų
• Cell temperature: 294 ± 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: 0.0772
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No