Information card for entry 7057150

Structure parameters

• Formula: C59 H63 Cd2 N9 O9
• Calculated formula: C59 H63 Cd2 N9 O9
• Title of publication: Exploring the multifunctionality in metal‒organic framework materials: how do the stilbenedicarboxylate and imidazolyl ligands tune the characteristics of coordination polymers?
• Authors of publication: Barsukova, Marina O.; Sapchenko, Sergey A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Potapov, Andrei S.; Dybtsev, Danil N.; Fedin, Vladimir P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 6408
• a: 8.8758 ± 0.0002 Å
• b: 24.0175 ± 0.0007 Å
• c: 28.4657 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6068.2 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No