Information card for entry 7230247

Structure parameters

• Formula: C20 H18 Br2 Hg N4 O2
• Calculated formula: C20 H18 Br2 Hg N4 O2
• Title of publication: Mercury halide coordination polymers exhibiting reversible structural transformation
• Authors of publication: Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 15
• Pages of publication: 2126
• a: 16.5731 ± 0.0007 Å
• b: 14.3971 ± 0.0005 Å
• c: 18.3341 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4374.6 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No