Information card for entry 1551649

Structure parameters

• Formula: C48 H28 Br4 Cl12 N4 O V
• Calculated formula: C48 H28 Br4 Cl12 N4 O V
• Title of publication: Crystal Structure of the (2,3,12,13-Tetrabromo-5,10,15,20-tetraphenylporphyrinato)oxidovanadium(IV) Complex
• Authors of publication: IKEUE, Takahisa; MURAI, Nami; HIRAOKA, Yuya; KUBOTA, Takeshi; OMATA, Kohji; YOSHIOKA, Daisuke; MIKURIYA, Masahiro; HANDA, Makoto
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2014
• Journal volume: 30
• Journal issue: 0
• Pages of publication: 37
• a: 9.3075 ± 0.0012 Å
• b: 20.839 ± 0.003 Å
• c: 13.7601 ± 0.0017 Å
• α: 90°
• β: 90.797 ± 0.002°
• γ: 90°
• Cell volume: 2668.6 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No