Information card for entry 7204001

Structure parameters

• Formula: C62 H32 Cl4 Co N10
• Calculated formula: C62 H32 Cl4 Co N10
• SMILES: c12cc3ccccc3cc1c1[n]3[Co]45([n]6c(c7cc8ccccc8cc7c6=Nc6n4c(N=c23)c2c6cc3ccccc3c2)N=c2n5c(=N1)c1cc3ccccc3cc21)(C#N)C#N.Clc1c(cccc1)Cl.c1(c(cccc1)Cl)Cl
• Title of publication: Multi-dimensional π‒π stacking interaction in neutral radical crystals obtained by electrochemical oxidation of [CoIII(2,3-Nc)(CN)2]− (2,3-Nc = 2,3-naphthalocyanine)
• Authors of publication: Matsumura, Naoko; Fujita, Akiko; Naito, Toshio; Inabe, Tamotsu
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2000
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 2266
• a: 10.684 ± 0.001 Å
• b: 15.005 ± 0.002 Å
• c: 8.068 ± 0.001 Å
• α: 92.371 ± 0.007°
• β: 95.72 ± 0.006°
• γ: 70.079 ± 0.004°
• Cell volume: 1209.9 ± 0.2 ų
• Cell temperature: 123 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: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 2.36
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No