Information card for entry 1547541

Structure parameters

• Formula: C19.6 H23.4 Co N6.2 O3.2
• Calculated formula: C16 H12 Co N5 O2
• Title of publication: Magnetodielectric coupling in a non-perovskite metal-organic framework
• Authors of publication: Basu, Tathamay; Jesche, Anton; Denysenko, Dmytro; Bredenkoetter, Bjoern; Grzywa, Maciej; Volkmer, Dirk; Loidl, Alois; Krohns, Stephan
• Journal of publication: Mater. Horiz.
• Year of publication: 2017
• a: 18.576 ± 0.004 Å
• b: 18.576 ± 0.004 Å
• c: 7.3728 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2544.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 138
• Hermann-Mauguin space group symbol: P 42/n c m :2
• Hall space group symbol: -P 4ac 2ac
• Residual factor for all reflections: 0.2073
• Residual factor for significantly intense reflections: 0.1652
• Weighted residual factors for significantly intense reflections: 0.3527
• Weighted residual factors for all reflections included in the refinement: 0.3728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No