Information card for entry 4505347

Structure parameters

• Formula: C26 H16 Cl2 Hg N6 Ni
• Calculated formula: C26 H16 Cl2 Hg N6 Ni
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Ni]124([Cl][Hg](C#N)(C#N)[Cl]2)[n]2cccc3ccc4ccc[n]1c4c23
• 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: 8.088 ± 0.002 Å
• b: 8.742 ± 0.002 Å
• c: 17.763 ± 0.006 Å
• α: 90°
• β: 97.08 ± 0.02°
• γ: 90°
• Cell volume: 1246.4 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9995
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No