Information card for entry 7212913

Structure parameters

• Formula: C76 H39 Fe N11 O4
• Calculated formula: C76 H39 Fe N11 O4
• SMILES: [Fe]123([n]4c5=Nc6n3c(N=c3[n]2c(N=c2n1c(=Nc4c1c5cccc1)c1ccccc21)c1ccccc31)c1ccccc61)(C#N)C#N.O1c2c3c(ccc2)ccc2Oc4c5c(c32)c1ccc5ccc4.O1c2c3c(ccc2)ccc2Oc4c5c(c32)c1ccc5ccc4.N#CC
• Title of publication: Giant magnetoresistance response by the π‒d interaction in an axially ligated phthalocyanine conductor with two-dimensional π‒π stacking structure
• Authors of publication: Ishikawa, Manabu; Asari, Takehiro; Matsuda, Masaki; Tajima, Hiroyuki; Hanasaki, Noriaki; Naito, Toshio; Inabe, Tamotsu
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 21
• Pages of publication: 4432
• a: 10.704 ± 0.002 Å
• b: 24.232 ± 0.006 Å
• c: 10.425 ± 0.002 Å
• α: 99.45 ± 0.01°
• β: 93.663 ± 0.008°
• γ: 95.382 ± 0.007°
• Cell volume: 2646.9 ± 1 ų
• Cell temperature: 109.1 K
• Ambient diffraction temperature: 109.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No