Information card for entry 7704406

Structure parameters

• Formula: C60 H60 Fe N8 O8
• Calculated formula: C60 H60 Fe 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: 12.439 ± 0.005 Å
• b: 29.787 ± 0.011 Å
• c: 13.837 ± 0.005 Å
• α: 90°
• β: 100.338 ± 0.009°
• γ: 90°
• Cell volume: 5044 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2155
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No