Information card for entry 4311790

Structure parameters

• Formula: C38 H32 Cl Hg N3 O P2
• Calculated formula: C38 H32 Cl Hg N3 O P2
• 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: 10.949 ± 0.002 Å
• b: 12.761 ± 0.003 Å
• c: 25.921 ± 0.006 Å
• α: 90°
• β: 90.414 ± 0.017°
• γ: 90°
• Cell volume: 3621.6 ± 1.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2505
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No