Information card for entry 7014600

Structure parameters

• Formula: C63 H55 N9 O17 Zn4
• Calculated formula: C63 H55 N9 O17 Zn4
• Title of publication: Microporous sensor: gas sorption, guest exchange and guest-dependant luminescence of metal-organic framework.
• Authors of publication: Sapchenko, Sergey A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Melgunov, Maxim S.; Fedin, Vladimir P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2196 - 2203
• a: 24.8414 ± 0.0006 Å
• b: 31.1031 ± 0.0008 Å
• c: 12.34 ± 0.0003 Å
• α: 90°
• β: 97.318 ± 0.001°
• γ: 90°
• Cell volume: 9456.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No