Information card for entry 7063202

Structure parameters

• Formula: C71 H43 Cl20 Cr Fe N8 O2 Sn
• Calculated formula: C59 H35 Cl16 Cr Fe N8 O2 Sn
• Title of publication: Perchlorinated vanadyl tetrapyrazinoporphyrazine: spectral, redox and magnetic properties
• Authors of publication: Finogenov, Daniil; Faraonov, Maxim A.; Kopylova, Alina S.; Ivanov, Timur E.; Romanenko, Nikita R.; Yakushev, Ilya; Konarev, Dmitri V.; Stuzhin, Pavel A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 18.8458 ± 0.0006 Å
• b: 29.6617 ± 0.0011 Å
• c: 27.42 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15327.7 ± 1 ų
• Cell temperature: 150 ± 0.14 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 8
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1562
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2385
• Weighted residual factors for all reflections included in the refinement: 0.2776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No