Information card for entry 7204080

Structure parameters

• Formula: C41.5 H30 Co N10.5 O
• Calculated formula: C40.5 H16 Co N11.5 O
• Title of publication: Structure and electrical and magnetic properties of (PTMA)x[M(Pc)(CN)2]·y(solvent) (PTMA = phenyltrimethylammonium and [M(Pc)(CN)2] = dicyano(phthalocyaninato)Miii with M = Co and Fe). Partial oxidation by partial solvent occupation of the cationic site
• Authors of publication: Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2493
• a: 13.6682 ± 0.0005 Å
• b: 7.3102 ± 0.0002 Å
• c: 16.3705 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1635.7 ± 0.1 ų
• Cell temperature: 113 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.343
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No