Information card for entry 4345015

Structure parameters

• Formula: C39 H39 Li2 N7 O16 Zn2
• Calculated formula: C37 H25 Li2 N6 O13.5 Zn2
• Title of publication: Rational Synthesis and Investigation of Porous Metal-Organic Framework Materials from a Preorganized Heterometallic Carboxylate Building Block.
• Authors of publication: Sapianik, Aleksandr A.; Zorina-Tikhonova, Ekaterina N; Kiskin, Mikhail A.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Sidorov, Alexey A.; Eremenko, Igor L.; Dybtsev, Danil N.; Blake, Alexander J.; Argent, Stephen P.; Schröder, Martin; Fedin, Vladimir P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1599 - 1608
• a: 17.0298 ± 0.0005 Å
• b: 18.8904 ± 0.0005 Å
• c: 16.7611 ± 0.0005 Å
• α: 90°
• β: 112.447 ± 0.004°
• γ: 90°
• Cell volume: 4983.5 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No