Information card for entry 7205981

Structure parameters

• Formula: C30 H46 Cu Hg I4 N4 O3 S2
• Calculated formula: C30 H46 Cu Hg I4 N4 O3 S2
• SMILES: c12c(cccc1)N1C(N2CCCC)=[Cu]23([I][Hg](I)([I]2)I)[O](CC1)CCN1c2c(cccc2)N(C=31)CCCC.O=S(C)C.O=S(C)C
• Title of publication: Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies
• Authors of publication: Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 4086
• a: 20.465 ± 0.006 Å
• b: 11.488 ± 0.004 Å
• c: 19.833 ± 0.009 Å
• α: 90°
• β: 115.192 ± 0.004°
• γ: 90°
• Cell volume: 4219 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.1232
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.2161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No