Information card for entry 7049035

Structure parameters

• Formula: C39 H42 Co Li N3 O9
• Calculated formula: C35 H33 Co Li N2 O8
• 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: 11.2469 ± 0.0004 Å
• b: 29.1732 ± 0.0009 Å
• c: 12.3612 ± 0.0004 Å
• α: 90°
• β: 92.248 ± 0.003°
• γ: 90°
• Cell volume: 4052.7 ± 0.2 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: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.243
• Weighted residual factors for all reflections included in the refinement: 0.2578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No