Information card for entry 4078196

Structure parameters

• Formula: C38 H38 Cl2 Cu2 Hg2 N4 O4
• Calculated formula: C38 H38 Cl2 Cu2 Hg2 N4 O4
• SMILES: c12ccccc1C(C)=[N]1[Cu]34[O]2[Hg]2([O]3c3c(C(=[N]4CCC1)C[Hg]1([O]4c5ccccc5C(C)=[N]5CCC[N]6=C(C2)c2ccccc2[O]1[Cu]456)Cl)cccc3)Cl
• Title of publication: Copper(II)‒Mercury(II) Heterometallic Complexes Derived from a Salen-Type Ligand: A New Coordination Mode of the Old Schiff Base Ligand
• Authors of publication: Biswas, Saptarshi; Saha, Rajat; Ghosh, Ashutosh
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 3844
• a: 9.378 ± 0.005 Å
• b: 9.902 ± 0.005 Å
• c: 20.42 ± 0.005 Å
• α: 90°
• β: 91.009 ± 0.005°
• γ: 90°
• Cell volume: 1895.9 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.1074
• Weighted residual factors for significantly intense reflections: 0.296
• Weighted residual factors for all reflections included in the refinement: 0.2985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No