Information card for entry 1515471

Structure parameters

• Formula: C468 H298 Cl8 N16 Ni4 S4
• Calculated formula: C468 H298 Cl8 N16 Ni4 S4
• Title of publication: A β-to-β 2,5-thienylene-bridged cyclic porphyrin tetramer: its rational synthesis and 1 : 2 binding mode with C60
• Authors of publication: Song, Jianxin; Aratani, Naoki; Shinokubo, Hiroshi; Osuka, Atsuhiro
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 748
• a: 25.617 ± 0.004 Å
• b: 71.86 ± 0.012 Å
• c: 26.909 ± 0.005 Å
• α: 90°
• β: 92.466 ± 0.004°
• γ: 90°
• Cell volume: 49489 ± 15 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.178
• Residual factor for significantly intense reflections: 0.1191
• Weighted residual factors for significantly intense reflections: 0.2915
• Weighted residual factors for all reflections included in the refinement: 0.3194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No