Information card for entry 7704405

Structure parameters

• Formula: C48 H50 N8 O8
• Calculated formula: C48 H50 N8 O8
• Title of publication: Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.
• Authors of publication: Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16268 - 16277
• a: 15.1518 ± 0.0016 Å
• b: 20.927 ± 0.002 Å
• c: 13.0887 ± 0.0013 Å
• α: 90°
• β: 92.599 ± 0.007°
• γ: 90°
• Cell volume: 4145.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1647
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No