Information card for entry 4350023

Structure parameters

• Formula: C30 H42 Gd4 N10 O23 Re6 S8
• Calculated formula: C30 H20 Gd4 N10 O23 Re6 S8
• Title of publication: Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters
• Authors of publication: Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1518
• a: 22.6751 ± 0.0009 Å
• b: 12.4275 ± 0.0006 Å
• c: 23.6074 ± 0.001 Å
• α: 90°
• β: 110.903 ± 0.003°
• γ: 90°
• Cell volume: 6214.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.80246 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No