Information card for entry 2209628

Structure parameters

• Chemical name: Tetrakis[μ-1,3-bis(4-methyl-2-pyridylimino)isoindolinato]trimercury(II) dinitrate methanol tetrasolvate
• Formula: C84 H80 Hg3 N22 O10
• Calculated formula: C84 H80 Hg3 N22 O10
• SMILES: c1cc(cc2[n]1[Hg]13N4C(c5ccccc5C4=Nc4[n](ccc(c4)C)[Hg]4([n]5ccc(cc5N=C5N3C(c3ccccc53)=Nc3cc(cc[n]13)C)C)[n]1ccc(cc1N=C1N3C(c5ccccc15)=Nc1cc(cc[n]1[Hg]13[n]3ccc(cc3N=C3c5ccccc5C(N13)=Nc1[n]4ccc(c1)C)C)C)C)=N2)C.N(=O)(=O)[O-].CO.CO.N(=O)(=O)[O-].CO.CO
• Title of publication: Tetrakis[μ-1,3-bis(4-methyl-2-pyridylimino)isoindolinato]trimercury(II) dinitrate methanol tetrasolvate
• Authors of publication: Wicholas, Mark; Dietrich, Brandon L.; Anderson, Oren P.; Cour, Agnete la
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1689 - m1690
• a: 26.285 ± 0.005 Å
• b: 19.755 ± 0.004 Å
• c: 19.376 ± 0.004 Å
• α: 90°
• β: 126.24 ± 0.03°
• γ: 90°
• Cell volume: 8115 ± 4 ų
• Cell temperature: 165 ± 2 K
• Ambient diffraction temperature: 165 ± 2 K
• Number of distinct elements: 5
• 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: 0.0521
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes