Information card for entry 7704984

Structure parameters

• Formula: C30 H20 Cl2 Hg N4 O4
• Calculated formula: C30 H20 Cl2 Hg N4 O4
• Title of publication: Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.
• Authors of publication: Samie, Ali; Salimi, Alireza; Garrison, Jered C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 34
• Pages of publication: 11859 - 11877
• a: 7.777 ± 0.006 Å
• b: 12.712 ± 0.01 Å
• c: 14.892 ± 0.012 Å
• α: 106.966 ± 0.011°
• β: 92.424 ± 0.01°
• γ: 96.714 ± 0.008°
• Cell volume: 1394 ± 1.9 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 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: 0.0663
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.152
• 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: Yes
• Has Fobs: No