Information card for entry 4318714

Structure parameters

• Formula: C55.5 H62.5 F2 Li N3 O6 Ru3
• Calculated formula: C55.5 H62.5 F2 Li N3 O6 Ru3
• Title of publication: Stabilization of Molecular LiF and LiFHF inside Metallamacrocyclic Hosts
• Authors of publication: Marie-Line Lehaire; Rosario Scopelliti; Kay Severin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5466 - 5474
• a: 9.88 ± 0.002 Å
• b: 22.193 ± 0.004 Å
• c: 23.801 ± 0.004 Å
• α: 92.737 ± 0.014°
• β: 94.985 ± 0.015°
• γ: 99.633 ± 0.017°
• Cell volume: 5115.4 ± 1.7 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No