Information card for entry 4318711

Structure parameters

• Formula: C52 H62 B F4 Li N3 O6 Rh3
• Calculated formula: C52 H62 B F4 Li N3 O6 Rh3
• SMILES: [Rh]1234567([O]8c9[n](cccc9O1)[Rh]19%10%11%12%13([O]%14c%15[n]([Rh]%16%17%18%19%20%21([O](c%22[n]2cccc%22O%16)[Li]78%13%14%21[F]B(F)(F)F)[c]2([c]%17([c]%18([c]%19([c]%202C)C)C)C)C)cccc%15O1)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.c1(ccccc1)C
• 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: 36.1548 ± 0.0015 Å
• b: 15.5423 ± 0.0007 Å
• c: 17.8504 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10030.7 ± 0.8 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 8
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No