Information card for entry 4327834

Structure parameters

• Common name: VOTTDPz
• Chemical name: vanadyl tetrakisthiadiazoleporphyrazine
• Formula: C16 N16 O S4 V
• Calculated formula: C16 N16 O S4 V
• Title of publication: Crystal Structure, Spin Polarization, Solid-State Electrochemistry, and High n-Type Carrier Mobility of a Paramagnetic Semiconductor: Vanadyl Tetrakis(thiadiazole)porphyrazine
• Authors of publication: Yasuhito Miyoshi; Kouji Takahashi; Takuya Fujimoto; Hirofumi Yoshikawa; Michio M. Matsushita; Yukio Ouchi; Mikael Kepenekian; Vincent Robert; Maria Pia Donzello; Claudio Ercolani; Kunio Awaga
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 456 - 462
• a: 12.449 ± 0.005 Å
• b: 6.861 ± 0.002 Å
• c: 12.916 ± 0.005 Å
• α: 90°
• β: 116.702 ± 0.004°
• γ: 90°
• Cell volume: 985.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.2183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No