Information card for entry 4112984

Structure parameters

• Formula: C69 H3 Cl5 Cu2 F42 N6 O3
• Calculated formula: C69 H3 Cl5 Cu2 F42 N6 O3
• Title of publication: Biscopper Complexes of meso-Aryl-Substituted Hexaphyrin: Gable Structures and Varying Antiferromagnetic Coupling
• Authors of publication: Soji Shimizu; Venkataramanarao G. Anand; Ryuichiro Taniguchi; Ko Furukawa; Tatsuhisa Kato; Toshihiko Yokoyama; Atsuhiro Osuka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 12280 - 12281
• a: 13.964 ± 0.006 Å
• b: 16.264 ± 0.007 Å
• c: 16.295 ± 0.008 Å
• α: 86.66 ± 0.04°
• β: 74.89 ± 0.04°
• γ: 84.63 ± 0.04°
• Cell volume: 3555 ± 3 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No