Information card for entry 4313952

Structure parameters

• Formula: C108.5 H82 B2 N20 Nd2
• Calculated formula: C108.5 H82 B2 N20 Nd2
• 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: 12.6145 ± 0.0005 Å
• b: 13.7314 ± 0.0006 Å
• c: 27.843 ± 0.001 Å
• α: 84.067 ± 0.002°
• β: 78.022 ± 0.002°
• γ: 74.461 ± 0.002°
• Cell volume: 4539.5 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No