Information card for entry 7040701

Structure parameters

• Formula: C30 H46 Cl2 Hg2 N4 O2
• Calculated formula: C30 H46 Cl2 Hg2 N4 O2
• Title of publication: Syntheses, crystal structures and steady state and time-resolved fluorescence properties of a PET based macrocycle and its dinuclear Zn(II)/Cd(II)/Hg(II) complexes.
• Authors of publication: Mandal, Leena; Majumder, Samit; Mohanta, Sasankasekhar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17365 - 17381
• a: 11.2137 ± 0.0009 Å
• b: 12.1962 ± 0.001 Å
• c: 12.5682 ± 0.0011 Å
• α: 92.415 ± 0.004°
• β: 99.929 ± 0.004°
• γ: 106.487 ± 0.004°
• Cell volume: 1616 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No