Information card for entry 7060149

Structure parameters

• Formula: C26 H25 Cl N2 O2
• Calculated formula: C26 H25 Cl N2 O2
• SMILES: Clc1cc2N=C3C(Oc2cc1)=CC1=Nc2cc(cc(c2OC1=C3)C(C)(C)C)C(C)(C)C
• 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: 14.332 ± 0.003 Å
• b: 10.037 ± 0.0002 Å
• c: 15.245 ± 0.003 Å
• α: 90°
• β: 95.01 ± 0.03°
• γ: 90°
• Cell volume: 2184.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1188
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.79475 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No