Information card for entry 7057148

Structure parameters

• Formula: C29 H31 N5 O5 Zn
• Calculated formula: C29 H24 N5 O5 Zn
• 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: 11.5569 ± 0.0008 Å
• b: 6.851 ± 0.0005 Å
• c: 17.499 ± 0.0009 Å
• α: 90°
• β: 92.086 ± 0.007°
• γ: 90°
• Cell volume: 1384.59 ± 0.16 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No