Information card for entry 2202213

Structure parameters

• Formula: C48 H54 Hg2 I4 N4 P2
• Calculated formula: C48 H54 Hg2 I4 N4 P2
• SMILES: c1(ccccc1)[P]([Hg]1(I)[I][Hg]([I]1)(I)[P](c1ccccc1)(c1ccccc1)CN(c1ncccc1)C1CCCCC1)(c1ccccc1)CN(c1ncccc1)C1CCCCC1
• Title of publication: An unexpected product: di-μ-iodo-bis{[2-(<i>N</i>-diphenylphosphinomethyl-<i>N</i>-cyclohexylamino)pyridine]iodomercury(II)}
• Authors of publication: Cui Da-Jun; Zeng Xianshun; Leng Xuebing; Xu Fengbo; Zhang Zhengzhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o868 - o869
• a: 12.5386 ± 0.0007 Å
• b: 16.1113 ± 0.0009 Å
• c: 12.6488 ± 0.0007 Å
• α: 90°
• β: 96.773 ± 0.001°
• γ: 90°
• Cell volume: 2537.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes