Information card for entry 7200405

Structure parameters

• Formula: C68 H46 Cl2 Fe N10 P
• Calculated formula: C68 H46 Cl2 Fe N9 P2
• SMILES: N1=c2c3c(c4=Nc5[n]6[Fe]7([n]8c(=Nc9c%10ccccc%10c(n79)N=c6c6ccccc56)c5c(c18)cccc5)(n24)(Cl)Cl)cccc3.P(c1ccccc1)(c1ccccc1)(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• 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: 10.501 ± 0.006 Å
• b: 12.232 ± 0.006 Å
• c: 12.938 ± 0.006 Å
• α: 85.71 ± 0.03°
• β: 68.16 ± 0.04°
• γ: 66.19 ± 0.04°
• Cell volume: 1405.7 ± 1.4 ų
• Cell temperature: 273.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No