Information card for entry 4332545

Structure parameters

• Chemical name: [Hg3I6(L4)2]-H2O
• Formula: C48 H44 Hg3 I6 N6 O7
• Calculated formula: C48 H42 Hg3 I6 N6 O7
• Title of publication: Syntheses, Structures, and Photoluminescence Properties of Metal(II) Halide Complexes with Pyridine-Containing Flexible Tripodal Ligands
• Authors of publication: Wu, Gang; Wang, Xiao-Feng; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8523 - 8532
• a: 15.427 ± 0.003 Å
• b: 16.466 ± 0.004 Å
• c: 24.96 ± 0.005 Å
• α: 78.94 ± 0.007°
• β: 80.93 ± 0.007°
• γ: 76.733 ± 0.008°
• Cell volume: 6014 ± 2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.2038
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.2464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No