Information card for entry 1544178

Structure parameters

• Formula: C35 H35 Co2 N5 O9
• Calculated formula: C35 H35 Co2 N5 O9
• Title of publication: Sorption discrimination between secondary alcohol enantiomers by chiral alkyl-dicarboxylate MOFs
• Authors of publication: Satska, Yulia A.; Mikhalyova, Elena A.; Chernenko, Zhanna V.; Kolotilov, Sergey V.; Zeller, Matthias; Komarov, Igor V.; Tymtsunik, Andriy V.; Tolmachev, Andrey; Gavrilenko, Konstantin S.; Addison, Anthony W.
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 96
• Pages of publication: 93707 - 93714
• a: 10.848 ± 0.0005 Å
• b: 10.848 ± 0.0005 Å
• c: 29.771 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3503.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0529
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No