Information card for entry 4322523

Structure parameters

• Formula: C63 H71 B2 La2 N27 O17
• Calculated formula: C63 H64 B2 La2 N27 O17
• Title of publication: Structural and Photophysical Properties of Mononuclear and Dinuclear Lanthanide(III) Complexes of Multidentate Podand Ligands Based on Poly(pyrazolyl)borates
• Authors of publication: Nicola Armaroli; Gianluca Accorsi; Francesco Barigelletti; Samantha M. Couchman; James S. Fleming; Nicholas C. Harden; John C. Jeffery; Karen L. V. Mann; Jon A. McCleverty; Leigh H. Rees; Sarah R. Starling; Michael D. Ward
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5769 - 5776
• a: 18.813 ± 0.002 Å
• b: 15.241 ± 0.002 Å
• c: 27.322 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7834 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections: 0.1004
• Weighted residual factors for significantly intense reflections: 0.093
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No