Information card for entry 4313951

Structure parameters

• Formula: C56 H52 I N4 Nd O3
• Calculated formula: C52 H44 I N4 Nd O2
• Title of publication: Facile Preparation and Photophysics of Near-Infrared Luminescent Lanthanide(III) Monoporphyrinate Complexes
• Authors of publication: Timothy J. Foley; Benjamin S. Harrison; Alison S. Knefely; Khalil A. Abboud; John R. Reynolds; Kirk S. Schanze; James M. Boncella
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5023 - 5032
• a: 12.447 ± 0.0011 Å
• b: 14.5765 ± 0.0013 Å
• c: 14.6837 ± 0.0013 Å
• α: 69.585 ± 0.002°
• β: 74.88 ± 0.002°
• γ: 89.225 ± 0.002°
• Cell volume: 2401.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No