Information card for entry 4505349

Structure parameters

• Formula: C54 H32 Cl4 Cu2 Hg3 N14
• Calculated formula: C54 H32 Cl4 Cu2 Hg3 N14
• SMILES: C(#N)[Hg]1([Cl][Hg](C#N)(C#N)[Cl]1)C#N.C(#N)[Hg]C#N.c1ccc2ccc3ccc[n]4[Cu]5([n]6cccc7c6c6[n]5cccc6cc7)(Cl)[n]1c2c34.c1ccc2ccc3ccc[n]4c3c2[n]1[Cu]14([n]2cccc3ccc4ccc[n]1c4c23)Cl
• Title of publication: Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations
• Authors of publication: Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 621
• a: 10.339 ± 0.002 Å
• b: 10.911 ± 0.002 Å
• c: 12.723 ± 0.003 Å
• α: 69.811 ± 0.017°
• β: 77.55 ± 0.02°
• γ: 82.228 ± 0.018°
• Cell volume: 1312.5 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections included in the refinement: 0.0345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4479
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No