Information card for entry 7063330

Structure parameters

• Formula: C60 H72 Cl8 K2 N20 O13 V
• Calculated formula: C60 H72 Cl8 K2 N20 O13 V
• Title of publication: Perchlorinated vanadyl tetrapyrazinoporphyrazine: spectral, redox and magnetic properties
• Authors of publication: Finogenov, Daniil N.; Faraonov, Maxim A.; Kopylova, Alina S.; Ivanov, Timur E.; Romanenko, Nikita R.; Yakushev, Ilya A.; Konarev, Dmitri V.; Stuzhin, Pavel A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 22
• Pages of publication: 10067 - 10073
• a: 15.429 ± 0.003 Å
• b: 14.116 ± 0.003 Å
• c: 18.892 ± 0.005 Å
• α: 90°
• β: 113.879 ± 0.009°
• γ: 90°
• Cell volume: 3762.4 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0696
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.75268 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No