Information card for entry 7116021

Structure parameters

• Common name: (3,5-di-tBuPh)8TAPMgH2O
• Chemical name: Octa-(3,5-di-tert-butylphenyl)-tetraazaporphyrin magnesium monohydrate
• Formula: C128 H168 Mg N8 O
• Calculated formula: C128 H168 Mg N8 O
• Title of publication: Control of absorption properties of tetraazaporphyrin group 15 complexes by modification of their axial ligands
• Authors of publication: Taniyuki Furuyama; Mitsuo Asai; Nagao Kobayashi
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 15101
• a: 22.085 ± 0.009 Å
• b: 35.163 ± 0.014 Å
• c: 18.194 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14129 ± 10 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.2129
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No