Information card for entry 4505348

Structure parameters

• Formula: C17 H11 Cl2 Cu Hg N5
• Calculated formula: C17 H11 Cl2 Cu Hg N5
• SMILES: [Hg](C#N)C#N.[Cu]12(Cl)(Cl)[n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1
• 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: 7.3434 ± 0.0009 Å
• b: 9.51 ± 0.001 Å
• c: 13.3533 ± 0.0017 Å
• α: 85.57 ± 0.01°
• β: 82.47 ± 0.01°
• γ: 87.594 ± 0.008°
• Cell volume: 921.25 ± 0.19 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: 0.0174
• Weighted residual factors for all reflections included in the refinement: 0.0222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.319
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No