Information card for entry 1565608

Structure parameters

• Formula: C7 H7 Br2 Hg N2
• Calculated formula: C7 H7 Br2 Hg N2
• Title of publication: The role of weak interactions in the crystal packing of two novel 1D Hg(II) coordination polymers and investigation for preparation of their rod and spherical structures
• Authors of publication: Mahmoudi, Ghodrat; Hayati, Payam; Mohammadi, Khosro; Masoudiasl, Ardavan; Mague, Joel T.; Zangrando, Ennio
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 501
• Pages of publication: 119243
• a: 17.884 ± 0.005 Å
• b: 7.323 ± 0.001 Å
• c: 16.362 ± 0.003 Å
• α: 90°
• β: 107.85 ± 0.04°
• γ: 90°
• Cell volume: 2039.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0601
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No