Information card for entry 7054887

Structure parameters

• Formula: C45 H33 Hg4 I8 N9
• Calculated formula: C45 H33 Hg4 I8 N9
• SMILES: c12ccccc1n1c3c4cccc[n]4[Hg](I)([I][Hg]4(I)(I)[I][Hg]5(I)[n]6c7ccccc7n(c6c6cccc[n]56)Cc5cc(C1)cc(Cn1c6c(cccc6)[n]6c1c1cccc[n]1[Hg]6(I)[I]4)c5)[n]23
• Title of publication: Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand
• Authors of publication: Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 6016
• a: 18.3083 ± 0.0007 Å
• b: 18.3083 ± 0.0007 Å
• c: 29.1307 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8456.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No