Information card for entry 4311654

Structure parameters

• Formula: C92 H80 F50 Gd2 Hg2 O16 S10
• Calculated formula: C92 H80 F50 Gd2 Hg2 O16 S10
• Title of publication: Heterometallic Ln/Hg Compounds with Fluorinated Thiolate Ligands
• Authors of publication: Santanu Banerjee; Thomas J. Emge; John G. Brennan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6307 - 6312
• a: 12.6757 ± 0.0006 Å
• b: 13.1765 ± 0.0006 Å
• c: 19.4107 ± 0.0009 Å
• α: 87.27 ± 0.001°
• β: 83.758 ± 0.001°
• γ: 64.065 ± 0.001°
• Cell volume: 2898.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No