Information card for entry 4308291

Structure parameters

• Formula: C67 H14 Cd2 Cl4 F30 N6 O
• Calculated formula: C67 H14 Cd2 Cl4 F30 N6 O
• Title of publication: Group 12 Metal Complexes of [26]Hexaphyrin(1.1.1.1.1.1)
• Authors of publication: Shigeki Mori; Soji Shimizu; Ji-Young Shin; Atsuhiro Osuka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4374 - 4376
• a: 18.217 ± 0.0018 Å
• b: 32.707 ± 0.003 Å
• c: 12.5752 ± 0.0013 Å
• α: 90°
• β: 101.453 ± 0.002°
• γ: 90°
• Cell volume: 7343.4 ± 1.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No