Information card for entry 7249229

Structure parameters

• Formula: C19 H19 Co N5 O6
• Calculated formula: C19 H18 Co N5 O6
• Title of publication: Structural polymorphism and luminescence properties of zinc(ii) and cobalt(ii) MOFs with rigid and flexible ligands
• Authors of publication: Burlak, Pavel V.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Fedin, Vladimir P.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 17.449 ± 0.008 Å
• b: 15.828 ± 0.003 Å
• c: 15.959 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4408 ± 4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2281
• Weighted residual factors for all reflections included in the refinement: 0.2727
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.79313 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No