Information card for entry 7054886

Structure parameters

• Formula: C45 H33 Br8 Hg4 N9
• Calculated formula: C45 H33 Br8 Hg4 N9
• SMILES: c1cccc2c3[n]4c5ccccc5n3Cc3cc5Cn6c7c8cccc[n]8[Hg]([n]7c7ccccc67)(Br)[Br][Hg]([Br][Hg]4([n]12)Br)(Br)(Br)[Br][Hg]1([n]2ccccc2c2[n]1c1ccccc1n2Cc(c5)c3)Br
• 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: 17.976 ± 0.002 Å
• b: 17.976 ± 0.002 Å
• c: 27.338 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7650.4 ± 1.5 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: 0.1625
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No