Information card for entry 4330131

Structure parameters

• Formula: C98 H60 Cl8 Mn N8
• Calculated formula: C98 H60 Cl8 Mn N8
• Title of publication: MnIII(tetra-biphenyl-porphyrin)-TCNE Single-Chain Magnet via Suppression of the Interchain Interactions
• Authors of publication: Ryuta Ishikawa; Keiichi Katoh; Brian K. Breedlove; Masahiro Yamashita
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9123 - 9131
• a: 17.014 ± 0.002 Å
• b: 22.785 ± 0.003 Å
• c: 20.89 ± 0.003 Å
• α: 90°
• β: 101.305 ± 0.0018°
• γ: 90°
• Cell volume: 7941.2 ± 1.8 ų
• Cell temperature: 103.1 K
• Ambient diffraction temperature: 103.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No