Information card for entry 7050326

Structure parameters

• Formula: C37 H28 Cl2 Hg N2 O6
• Calculated formula: C37 H24 Cl2 Hg N2 O6
• Title of publication: Molecular tectonics: geometry and energy based analysis of coordination networks
• Authors of publication: Mir Wais Hosseini; Marc Henry
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 6.9151 ± 0.0001 Å
• b: 17.3434 ± 0.0003 Å
• c: 17.8375 ± 0.0003 Å
• α: 116.613 ± 0.005°
• β: 94.225 ± 0.005°
• γ: 90.319 ± 0.005°
• Cell volume: 1905.64 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.059
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections: 1.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No