Information card for entry 7007350

Structure parameters

• Formula: C56 H43 Cl4 Hg2 N9
• Calculated formula: C42 H27 Cl4 Hg2 N9
• SMILES: [Hg]1(Cl)(Cl)[n]2c(n(c3c2cccc3)c2cc(n3c4c5[n]([Hg](Cl)(Cl)[n]4c4c3cccc4)cccc5)cc(n3c(nc4ccccc34)c3ncccc3)c2)c2[n]1cccc2
• Title of publication: Interaction of 2-(2'-pyridyl)benzimidazolyl derivative ligands with group 12 metal ions: coordination, structures and luminescence.
• Authors of publication: De La Durantaye, Louise; McCormick, Theresa; Liu, Xiang-Yang; Wang, Suning
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 48
• Pages of publication: 5675 - 5682
• a: 13.492 ± 0.006 Å
• b: 14.686 ± 0.005 Å
• c: 15.88 ± 0.006 Å
• α: 102.163 ± 0.007°
• β: 113.679 ± 0.006°
• γ: 103.799 ± 0.008°
• Cell volume: 2627 ± 1.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1474
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.779
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No