Information card for entry 7245084

Structure parameters

• Formula: C88 H52 Cl4 Mn2 N16 P
• Calculated formula: C88 H52 Cl4 Mn2 N16 P
• Title of publication: A large negative magnetoresistance effect in semiconducting crystals composed of an octahedrally ligated phthalocyanine complex with high-spin manganese(iii)
• Authors of publication: Mine, Kosuke; Yamaguchi, Masayuki; Murakawa, Hiroshi; Hanasaki, Noriaki; Matsuda, Masaki
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 28
• Pages of publication: 17944 - 17949
• a: 21.6778 ± 0.0004 Å
• b: 21.6778 ± 0.0004 Å
• c: 7.4426 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3497.48 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No