Information card for entry 4108779

Structure parameters

• Formula: C126.66 H143.32 Cl4.02 N8.66 Ni2 O4
• Calculated formula: C126.662 H143.322 Cl4.026 N8.66 Ni2 O4
• Title of publication: Synthesis of Directly and Doubly Linked Dioxoisobacteriochlorin Dimers
• Authors of publication: Satoru Hiroto; Ichiro Hisaki; Hiroshi Shinokubo; Atsuhiro Osuka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16172 - 16173
• a: 13.188 ± 0.005 Å
• b: 14.388 ± 0.005 Å
• c: 16.656 ± 0.007 Å
• α: 66.993 ± 0.012°
• β: 86.554 ± 0.014°
• γ: 78.472 ± 0.012°
• Cell volume: 2849.8 ± 1.9 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1517
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.2661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No