Information card for entry 7226297

Structure parameters

• Formula: C14 H22 Br5 Cl Hg2 N2 Si2
• Calculated formula: C14 H22 Br5 Cl Hg2 N2 Si2
• Title of publication: In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media
• Authors of publication: Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 37
• Pages of publication: 6997
• a: 12.8706 ± 0.0007 Å
• b: 8.2506 ± 0.0005 Å
• c: 13.8348 ± 0.001 Å
• α: 90°
• β: 113.876 ± 0.005°
• γ: 90°
• Cell volume: 1343.4 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.693
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No