Information card for entry 4350018

Structure parameters

• Formula: C33 H42 N11 Nd4 O22 Re6 S8
• Calculated formula: C33 H23 N11 Nd4 O22 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: 22.8344 ± 0.0004 Å
• b: 12.5424 ± 0.0002 Å
• c: 23.8734 ± 0.0004 Å
• α: 90°
• β: 111.117 ± 0.002°
• γ: 90°
• Cell volume: 6378.2 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No