Information card for entry 7109808

Structure parameters

• Chemical name: μ-[Hexafluorosilicato/Hexafluorogermanate 0.93:0.07]- tetrakis[μ-1,3-bis(pyridazin-4-yl)benzene- κ^2^N^2^:N^2'^]-dimethanol-dicopper(II) Hexafluorosilicate/Hexafluorogermanate 0.67:0.33, solvate with 3 methanol
• Formula: C61 H60 Cu2 F12 Ge0.4 N16 O5 Si1.6
• Calculated formula: C58 H48 Cu2 F12 Ge0.402 N16 O2 Si1.598
• Title of publication: Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CHF bonds
• Authors of publication: Anna S. Degtyarenko; Eduard B. Rusanov; Antonio Bauza; Antonio Frontera; Harald Krautscheid; Alexander N. Chernega; Andriy A. Mokhire; Konstantin V. Domasevitch
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9018
• a: 17.1776 ± 0.0008 Å
• b: 17.1776 ± 0.0008 Å
• c: 20.715 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6112.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No