Information card for entry 7200403

Structure parameters

• Formula: C88 H52 Cl4 Fe2 N16 P
• Calculated formula: C88 H52 Cl4 Fe2 N16 P
• SMILES: c12=Nc3n4[Fe]56([n]2c(c2c1cccc2)N=c1c2ccccc2c(=Nc2c7ccccc7c(=Nc4c4ccccc34)[n]62)n51)(Cl)Cl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c12=Nc3c4ccccc4c4=Nc5n6c(N=c7c8ccccc8c8[n]7[Fe]6(n1c(=N8)c1ccccc21)([n]34)(Cl)Cl)c1c5cccc1
• Title of publication: Variable magnetotransport properties in the TPP[Fe(Pc)L2]2 system (TPP = tetraphenylphosphonium, Pc = phthalocyaninato, L = CN, Cl, and Br)
• Authors of publication: Yu, Derrick Ethelbhert C.; Matsuda, Masaki; Tajima, Hiroyuki; Kikuchi, Akira; Taketsugu, Tetsuya; Hanasaki, Noriaki; Naito, Toshio; Inabe, Tamotsu
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 6
• Pages of publication: 718
• a: 21.49 ± 0.02 Å
• b: 21.49 ± 0.02 Å
• c: 7.472 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3451 ± 6 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: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No