Information card for entry 4505780

Structure parameters

• Formula: C18 H16 Cl4 Hg N6 O
• Calculated formula: C18 H14 Cl4 Hg N6 O
• Title of publication: Crystal Engineering with Mercuric Chloride
• Authors of publication: Batten, Stuart R.; Harris, Alexander R.; Murray, Keith S.; Smith, Jonathan P.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2002
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 87
• a: 12.7323 ± 0.0002 Å
• b: 13.9467 ± 0.0002 Å
• c: 13.6415 ± 0.0002 Å
• α: 90°
• β: 112.449 ± 0.001°
• γ: 90°
• Cell volume: 2238.8 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No