Information card for entry 4311793

Structure parameters

• Formula: C8 H16 Cl2 Cu Hg2 N8
• Calculated formula: C8 H16 Cl2 Cu Hg2 N8
• SMILES: C(#N)[Hg](C#N)Cl.[NH2]1[Cu]2([NH2]CC[NH2]2)[NH2]CC1.C(#N)[Hg](C#N)Cl
• Title of publication: Factors Affecting the Solid-State Structure and Dimensionality of Mercury Cyanide/Chloride Double Salts, and NMR Characterization of Coordination Geometries
• Authors of publication: Neil D. Draper; Raymond J. Batchelor; Pedro M. Aguiar; Scott Kroeker; Daniel B. Leznoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6557 - 6567
• a: 6.3063 ± 0.0013 Å
• b: 8.132 ± 0.003 Å
• c: 9.9615 ± 0.0018 Å
• α: 70.43 ± 0.02°
• β: 85.675 ± 0.017°
• γ: 72.63 ± 0.02°
• Cell volume: 459.2 ± 0.2 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 all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for all reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0301
• Weighted residual factors for all reflections included in the refinement: 0.0301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.8352
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No