Information card for entry 7226299

Structure parameters

• Formula: C14 H22 Cl2 Hg2 I4 N2 Si2
• Calculated formula: C14 H22 Cl2 Hg2 I4 N2 Si2
• SMILES: c1c(ccc[nH+]1)[Si](C)(C)[Si](c1c[nH+]ccc1)(C)C.I[Hg](Cl)I.I[Hg](I)Cl
• 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: 8.3261 ± 0.0002 Å
• b: 22.1706 ± 0.0004 Å
• c: 8.2547 ± 0.0002 Å
• α: 90°
• β: 111.042 ± 0.001°
• γ: 90°
• Cell volume: 1422.16 ± 0.06 ų
• Cell temperature: 194 ± 2 K
• Ambient diffraction temperature: 194 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No