Information card for entry 7721063

Structure parameters

• Formula: C232 H296 Cs6 N36 O39 V3
• Calculated formula: C204 H264 Cs6 N36 O39 V3
• Title of publication: Doubly Reduced Phthalocyanine Complexes of V(IV), Cu(II), and Sn(II): Synthesis, Structure, and Spin Dynamics
• Authors of publication: Faraonov, Maxim A.; Romanenko, Nikita R.; Ivanov, Timur E.; Shmakov, Alexandr S.; Akimov, Alexander V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Kitagawa, Hiroshi; Konarev, Dmitri V.
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 12.6407 ± 0.0002 Å
• b: 14.2152 ± 0.0002 Å
• c: 33.5193 ± 0.0005 Å
• α: 79.781 ± 0.001°
• β: 79.274 ± 0.001°
• γ: 82.532 ± 0.001°
• Cell volume: 5794.63 ± 0.15 ų
• Cell temperature: 114 ± 13 K
• Ambient diffraction temperature: 114 ± 13 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No