Information card for entry 7049033

Structure parameters

• Formula: C21 H30 Li N3 O9 Zn
• Calculated formula: C21 H30 Li N3 O9 Zn
• Title of publication: Rational synthesis and dimensionality tuning of MOFs from preorganized heterometallic molecular complexes.
• Authors of publication: Sapianik, Aleksandr A.; Kiskin, Mikhail A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Audebrand, Nathalie; Sun, Yaguang; Fedin, Vladimir P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 3676 - 3686
• a: 13.2635 ± 0.0003 Å
• b: 13.2635 ± 0.0003 Å
• c: 17.6166 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3099.12 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No