Information card for entry 7060147

Structure parameters

• Formula: C114 H114 Cl4 Co N8 O12
• Calculated formula: C114 H114 Cl4 Co N8 O12
• Title of publication: Synthesis, crystal molecular structure, and magnetic characteristics of coordination polymers formed by Co(ii) diketonates with pentaheterocyclic triphenodioxazines
• Authors of publication: Aldoshin, Sergey; Ivakhnenko, Eugeny; Shilov, Gennadii; Tkachev, Valerii; Utenyshev, Andrei; Palii, Andreii; Dorovatovskii, Pavel; Kovalenko, Anastasiia; Morgunov, Roman; Metelitsa, Anatoly; Minkin, Vladimir
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 304 - 313
• a: 20.251 ± 0.004 Å
• b: 6.596 ± 0.0013 Å
• c: 18.852 ± 0.004 Å
• α: 90°
• β: 91.14 ± 0.03°
• γ: 90°
• Cell volume: 2517.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.79272 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No