Information card for entry 4505345

Structure parameters

• Formula: C26 H16 Cl2 Hg Mn N6
• Calculated formula: C26 H16 Cl2 Hg Mn N6
• SMILES: [Hg](C#N)C#N.[Mn]12(Cl)(Cl)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13
• 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: 15.998 ± 0.005 Å
• b: 8.853 ± 0.003 Å
• c: 18.797 ± 0.008 Å
• α: 90°
• β: 107.42 ± 0.03°
• γ: 90°
• Cell volume: 2540.1 ± 1.6 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: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4414
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No