Information card for entry 8000118

Structure parameters

• Formula: C88 H52 Br4 Co2 N16 P
• Calculated formula: C88 H52 Br4 Co2 N16 P
• Title of publication: One-step Synthesis of Partially Oxidized Cobalt(III) Phthalocyanine Salts with Axial Ligands
• Authors of publication: Yu, Derrick Etherbert C.; Imai, Hiroyuki; Ushio, Mamoru; Takeda, Sayaka; Naito, Toshio; Inabe, Tamotsu
• Journal of publication: Chemistry Letters
• Year of publication: 2006
• Journal volume: 35
• Journal issue: 6
• Pages of publication: 602
• a: 21.4119 ± 0.0019 Å
• b: 21.4119 ± 0.0019 Å
• c: 7.6088 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3488.4 ± 0.5 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No