Information card for entry 7702860

Structure parameters

• Formula: C39 H48 Gd2 N11 O13.5
• Calculated formula: C39 H45 Gd2 N11 O13.5
• Title of publication: Structural characterisation, EPR and magnetic properties of f‒f and f‒d lanthanide(iii) phenolic cryptates
• Authors of publication: Avecilla, Fernando; Platas-Iglesias, Carlos; Rodríguez-Cortiñas, Raquel; Guillemot, Geoffroy; Bünzli, Jean-Claude G.; Brondino, Carlos D.; Geraldes, Carlos F. G. C.; Blas, Andrés de; Rodríguez-Blas, Teresa
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 4658
• a: 17.715 ± 0.004 Å
• b: 17.715 ± 0.004 Å
• c: 29.3028 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9196 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No