Information card for entry 7241357

Structure parameters

• Formula: C18 H30 Cs N10 Nd O7 Re6 S8
• Calculated formula: C18 H30 Cs N10 Nd O7.16 Re6 S8
• Title of publication: Metal-organic frameworks with solvent-free lanthanide coordination environments: synthesis from aqueous ethanol solutions
• Authors of publication: Litvinova, Yulia M.; Gayfulin, Yakov M.; Brylev, Konstantin; Piryazev, Dmitry A.; van Leusen, Jan; Kögerler, Paul; Mironov, Yuri V.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 10.7133 ± 0.0007 Å
• b: 18.9023 ± 0.0011 Å
• c: 21.6443 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4383.1 ± 0.5 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 8
• Space group number: 66
• Hermann-Mauguin space group symbol: C c c m
• Hall space group symbol: -C 2 2c
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No