Information card for entry 4321158

Structure parameters

• Formula: C52 H43 Li N4 O S
• Calculated formula: C52 H43 Li N4 O S
• Title of publication: Synthesis, Characterization, and Properties of a Lithium 21-Thiaporphyrin Complex
• Authors of publication: Andreas Gebauer; Joseph A. R. Schmidt; John Arnold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3424 - 3427
• a: 11.39 ± 0.002 Å
• b: 11.905 ± 0.002 Å
• c: 17.09 ± 0.002 Å
• α: 108.041 ± 0.002°
• β: 97.446 ± 0.002°
• γ: 103.226 ± 0.003°
• Cell volume: 2094.1 ± 0.6 ų
• Cell temperature: 165.2 K
• Ambient diffraction temperature: 165.2 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: 0.191
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.0421
• Goodness-of-fit parameter for significantly intense reflections: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No