Information card for entry 4306139

Structure parameters

• Formula: C57 H45.5 La N12 O3.25
• Calculated formula: C57 H45 La N12 O3.25
• Title of publication: Near-Infrared Luminescence of Nine-Coordinate Neodymium Complexes with Benzimidazole-Substituted 8-Hydroxyquinolines
• Authors of publication: Nail M. Shavaleev; Rosario Scopelliti; Frédéric Gumy; Jean-Claude G. Bünzli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9055 - 9068
• a: 11.9317 ± 0.0007 Å
• b: 12.546 ± 0.0005 Å
• c: 18.606 ± 0.001 Å
• α: 78.989 ± 0.004°
• β: 75.239 ± 0.005°
• γ: 66.466 ± 0.005°
• Cell volume: 2456.7 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.1357
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No